data_6g4k_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 6g4k _Structure_validation_residue.Date_analyzed 2019-10-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.486 0.536 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.233 0.273 0 CA-C-O 121.875 0.698 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.736 0.64 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 C--O 1.233 0.245 0 CA-C-O 121.666 0.611 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.655 0.606 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.233 0.271 0 CA-C-O 122.069 0.779 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo . . . . . 0 N--CA 1.46 -0.459 0 N-CA-C 107.347 -1.828 . . . . 0.0 107.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.504 0.544 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.462 -0.344 0 N-CA-C 110.27 -0.704 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 N-CA-C 110.066 -0.782 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 107.402 -1.807 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.515 -0.43 0 N-CA-C 107.611 -1.726 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo . . . . . 0 N--CA 1.463 -0.274 0 N-CA-C 110.412 -0.649 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.877 0.699 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo . . . . . 0 CA--C 1.515 -0.427 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.517 -0.336 0 N-CA-C 108.924 -1.221 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 122.004 0.752 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.707 0.765 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.08 105.85 56.3 Favored Pre-proline 0 N--CA 1.448 -0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.778 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -99.78 64.51 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -76.41 -23.24 54.01 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm 77.57 11.1 2.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.428 2.291 . . . . 0.0 111.15 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -161.69 2.37 0.06 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.102 -0.999 . . . . 0.0 111.639 -160.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.61 -1.306 . . . . 0.0 112.986 -171.083 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.436 -1.15 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.75 77.43 1.35 Allowed Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 125.193 1.397 . . . . 0.0 111.928 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -80.83 65.48 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.553 2.169 . . . . 0.0 111.152 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p -88.41 3.34 50.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt 60.95 54.3 3.48 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.228 1.811 . . . . 0.0 112.881 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -138.57 11.19 2.72 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 125.383 1.473 . . . . 0.0 111.461 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.347 0.463 0 O-C-N 119.784 -1.822 . . . . 0.0 111.902 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 t80 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 149.21 85.57 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 125.023 1.329 . . . . 0.0 111.766 173.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.78 73.0 5.49 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.699 2.266 . . . . 0.0 111.774 -174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -74.42 -15.53 60.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 69.89 46.68 0.65 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.508 1.923 . . . . 0.0 112.498 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -132.71 25.45 4.36 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.278 1.431 . . . . 0.0 109.747 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.241 0.629 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 -157.147 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 121.85 0.833 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.9 146.96 96.83 Favored Pre-proline 0 C--N 1.349 0.566 0 O-C-N 120.402 -1.437 . . . . 0.0 111.871 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.02 78.47 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.547 2.164 . . . . 0.0 112.311 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p -77.23 -8.97 58.46 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 64.09 46.85 3.53 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.804 2.041 . . . . 0.0 111.636 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 6.48 9.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.804 1.642 . . . . 0.0 110.577 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.199 -1.563 . . . . 0.0 113.217 -169.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 N--CA 1.437 -1.107 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.4 148.14 86.34 Favored Pre-proline 0 N--CA 1.449 -0.513 0 C-N-CA 125.015 1.326 . . . . 0.0 111.817 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.58 76.54 3.96 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.694 2.262 . . . . 0.0 112.26 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p -87.52 12.17 13.04 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt 60.77 48.75 6.74 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 112.119 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -41.32 3.18 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.866 -1.146 . . . . 0.0 110.213 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.349 0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 111.61 174.887 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.44 -0.949 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 147.67 86.59 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.575 -1.328 . . . . 0.0 112.106 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.1 80.59 2.42 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.661 2.241 . . . . 0.0 112.689 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p -87.57 13.65 9.84 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt 64.26 46.05 3.68 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.952 2.101 . . . . 0.0 113.336 165.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -45.05 2.45 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.201 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--O 1.242 0.71 0 O-C-N 120.415 -1.428 . . . . 0.0 112.303 -172.683 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 121.875 0.845 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.39 125.07 87.66 Favored Pre-proline 0 N--CA 1.449 -0.508 0 C-N-CA 124.639 1.176 . . . . 0.0 112.339 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -98.17 68.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 CA-C-N 123.12 2.15 . . . . 0.0 107.862 -163.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p -65.9 -43.17 88.99 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 85.37 18.74 0.12 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 129.039 2.935 . . . . 0.0 109.817 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -160.71 8.4 0.09 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.094 -1.004 . . . . 0.0 111.049 -170.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.422 -1.424 . . . . 0.0 113.077 -170.508 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 N--CA 1.437 -1.099 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.39 151.36 77.25 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 125.502 1.521 . . . . 0.0 111.903 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.96 71.28 5.65 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.898 2.398 . . . . 0.0 111.553 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -82.4 -19.2 39.59 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 59.33 42.07 18.77 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.188 2.195 . . . . 0.0 110.606 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -173.78 -4.74 0.01 OUTLIER 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.884 1.274 . . . . 0.0 113.211 -176.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.352 0.696 0 O-C-N 120.489 -1.382 . . . . 0.0 112.746 -164.256 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.653 0.74 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -108.26 107.11 59.87 Favored Pre-proline 0 N--CA 1.45 -0.427 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -99.51 71.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.513 1.933 . . . . 0.0 107.347 -167.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -87.02 2.94 47.97 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt 64.42 62.65 0.8 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.083 1.753 . . . . 0.0 113.994 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.05 -33.78 2.63 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 121.396 -0.815 . . . . 0.0 110.105 163.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.289 -1.507 . . . . 0.0 110.343 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 tt -165.99 -50.75 0.0 OUTLIER Pre-proline 0 C--N 1.345 0.376 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.204 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.09 75.28 4.92 Favored 'Trans proline' 0 C--N 1.345 0.362 0 CA-C-N 125.382 2.958 . . . . 0.0 111.277 174.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -94.08 10.81 32.17 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 68.38 -18.62 0.16 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.102 2.561 . . . . 0.0 116.408 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 9.91 0.12 Allowed 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 120.613 -1.304 . . . . 0.0 109.085 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.349 -1.469 . . . . 0.0 113.455 -162.509 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 t80 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.05 -42.27 92.83 Favored Pre-proline 0 C--N 1.349 0.574 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.72 65.19 8.9 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 CA-C-N 125.733 3.083 . . . . 0.0 110.27 171.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p -64.96 -42.85 94.22 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm 84.1 18.78 0.18 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 128.395 2.678 . . . . 0.0 109.748 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -160.83 11.2 0.1 Allowed 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.748 -172.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--N 1.35 0.629 0 C-N-CA 124.564 1.146 . . . . 0.0 113.525 -171.653 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp 60.52 174.89 0.05 OUTLIER Pre-proline 0 C--N 1.352 0.681 0 C-N-CA 126.917 2.087 . . . . 0.0 114.036 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -75.51 74.98 4.07 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 O-C-N 117.32 -1.99 . . . . 0.0 110.066 167.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.63 -15.67 60.3 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm 75.84 40.08 0.29 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 127.248 2.219 . . . . 0.0 112.293 172.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -123.6 16.25 9.56 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.739 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.348 0.538 0 O-C-N 120.131 -1.606 . . . . 0.0 112.813 -175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.95 107.59 58.95 Favored Pre-proline 0 C--N 1.347 0.481 0 O-C-N 120.564 -1.335 . . . . 0.0 109.714 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -100.0 70.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.434 0 CA-C-N 122.429 1.903 . . . . 0.0 107.402 -167.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p -75.07 -11.56 60.12 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 65.16 55.08 1.14 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.594 1.957 . . . . 0.0 111.94 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -140.39 18.3 2.39 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 126.197 1.799 . . . . 0.0 109.795 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.146 -1.596 . . . . 0.0 111.683 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.744 0.783 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.4 106.37 58.48 Favored Pre-proline 0 N--CA 1.449 -0.517 0 O-C-N 120.959 -1.088 . . . . 0.0 108.144 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -99.68 61.88 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.43 0 CA-C-N 122.772 2.026 . . . . 0.0 107.611 -165.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p -89.4 10.24 23.3 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.267 5.4 tmtm? 49.21 53.06 13.28 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 127.656 2.382 . . . . 0.0 114.063 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -14.66 14.87 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.939 -1.101 . . . . 0.0 109.103 170.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.243 0.726 0 O-C-N 120.379 -1.45 . . . . 0.0 110.752 166.694 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.75 0.786 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.2 tp -112.71 106.65 55.35 Favored Pre-proline 0 N--CA 1.447 -0.601 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -100.41 61.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -76.66 -43.0 39.8 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER 87.05 25.31 0.05 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.896 2.478 . . . . 0.0 109.712 -165.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.86 2.99 0.03 OUTLIER 'General case' 0 C--N 1.353 0.718 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.351 0.636 0 C-N-CA 124.639 1.175 . . . . 0.0 111.434 -165.089 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.09 178.58 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.834 0 C-N-CA 125.656 1.582 . . . . 0.0 113.751 -172.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -77.63 71.16 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 O-C-N 117.035 -2.139 . . . . 0.0 110.412 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -66.22 -43.23 87.27 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 85.3 20.34 0.1 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 128.559 2.744 . . . . 0.0 109.865 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -161.5 8.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.428 -0.795 . . . . 0.0 110.887 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.352 0.677 0 O-C-N 120.384 -1.448 . . . . 0.0 113.273 -169.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -137.33 160.43 65.61 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.41 68.8 7.43 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.715 2.276 . . . . 0.0 110.527 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -96.56 2.76 52.64 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 60.21 53.38 4.47 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.775 1.23 . . . . 0.0 112.575 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -4.11 0.07 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -176.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.35 0.611 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 169.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.87 0.843 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.55 125.11 87.94 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 124.534 1.134 . . . . 0.0 112.221 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -98.05 67.29 0.09 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.427 0 CA-C-N 123.098 2.142 . . . . 0.0 107.862 -163.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -146.38 14.62 1.27 Allowed 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.78 -25.29 0.15 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.842 2.057 . . . . 0.0 115.317 168.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -112.56 126.77 55.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.446 -0.638 0 O-C-N 120.658 -1.276 . . . . 0.0 109.165 -172.509 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.843 0.83 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.11 119.9 74.69 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.433 1.093 . . . . 0.0 112.162 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -100.15 67.25 0.05 OUTLIER 'Trans proline' 0 CA--C 1.517 -0.336 0 CA-C-N 123.824 2.401 . . . . 0.0 108.924 -155.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -87.3 6.43 33.45 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 65.67 51.01 1.51 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.581 1.952 . . . . 0.0 112.99 163.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -125.87 -36.24 2.41 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.685 0.794 . . . . 0.0 110.518 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.35 0.588 0 O-C-N 120.514 -1.366 . . . . 0.0 110.65 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.96 150.2 78.81 Favored Pre-proline 0 C--N 1.349 0.544 0 O-C-N 120.665 -1.272 . . . . 0.0 112.25 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.63 74.36 4.35 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.916 2.41 . . . . 0.0 111.914 -174.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p -93.12 14.38 18.12 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? 65.42 44.39 3.14 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.95 1.7 . . . . 0.0 113.894 168.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -107.1 -25.45 11.56 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.518 -1.364 . . . . 0.0 110.983 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.348 0.516 0 O-C-N 120.562 -1.336 . . . . 0.0 110.008 175.024 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.486 0.536 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.233 0.273 0 CA-C-O 121.875 0.698 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.736 0.64 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 C--O 1.233 0.245 0 CA-C-O 121.666 0.611 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.655 0.606 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.233 0.271 0 CA-C-O 122.069 0.779 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo . . . . . 0 N--CA 1.46 -0.459 0 N-CA-C 107.347 -1.828 . . . . 0.0 107.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.504 0.544 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.462 -0.344 0 N-CA-C 110.27 -0.704 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 N-CA-C 110.066 -0.782 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 107.402 -1.807 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.515 -0.43 0 N-CA-C 107.611 -1.726 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo . . . . . 0 N--CA 1.463 -0.274 0 N-CA-C 110.412 -0.649 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.877 0.699 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo . . . . . 0 CA--C 1.515 -0.427 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.517 -0.336 0 N-CA-C 108.924 -1.221 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 122.004 0.752 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.707 0.765 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.08 105.85 56.3 Favored Pre-proline 0 N--CA 1.448 -0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.778 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -99.78 64.51 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -76.41 -23.24 54.01 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm 77.57 11.1 2.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.428 2.291 . . . . 0.0 111.15 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -161.69 2.37 0.06 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.102 -0.999 . . . . 0.0 111.639 -160.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.61 -1.306 . . . . 0.0 112.986 -171.083 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.436 -1.15 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.75 77.43 1.35 Allowed Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 125.193 1.397 . . . . 0.0 111.928 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -80.83 65.48 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.553 2.169 . . . . 0.0 111.152 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p -88.41 3.34 50.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt 60.95 54.3 3.48 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.228 1.811 . . . . 0.0 112.881 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -138.57 11.19 2.72 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 125.383 1.473 . . . . 0.0 111.461 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.347 0.463 0 O-C-N 119.784 -1.822 . . . . 0.0 111.902 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 t80 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 149.21 85.57 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 125.023 1.329 . . . . 0.0 111.766 173.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.78 73.0 5.49 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.699 2.266 . . . . 0.0 111.774 -174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -74.42 -15.53 60.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 69.89 46.68 0.65 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.508 1.923 . . . . 0.0 112.498 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -132.71 25.45 4.36 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.278 1.431 . . . . 0.0 109.747 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.241 0.629 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 -157.147 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 121.85 0.833 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.9 146.96 96.83 Favored Pre-proline 0 C--N 1.349 0.566 0 O-C-N 120.402 -1.437 . . . . 0.0 111.871 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.02 78.47 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.547 2.164 . . . . 0.0 112.311 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p -77.23 -8.97 58.46 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 64.09 46.85 3.53 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.804 2.041 . . . . 0.0 111.636 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 6.48 9.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.804 1.642 . . . . 0.0 110.577 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.199 -1.563 . . . . 0.0 113.217 -169.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 N--CA 1.437 -1.107 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.4 148.14 86.34 Favored Pre-proline 0 N--CA 1.449 -0.513 0 C-N-CA 125.015 1.326 . . . . 0.0 111.817 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.58 76.54 3.96 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.694 2.262 . . . . 0.0 112.26 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p -87.52 12.17 13.04 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt 60.77 48.75 6.74 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 112.119 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -41.32 3.18 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.866 -1.146 . . . . 0.0 110.213 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.349 0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 111.61 174.887 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.44 -0.949 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 147.67 86.59 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.575 -1.328 . . . . 0.0 112.106 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.1 80.59 2.42 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.661 2.241 . . . . 0.0 112.689 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p -87.57 13.65 9.84 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt 64.26 46.05 3.68 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.952 2.101 . . . . 0.0 113.336 165.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -45.05 2.45 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.201 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--O 1.242 0.71 0 O-C-N 120.415 -1.428 . . . . 0.0 112.303 -172.683 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 121.875 0.845 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.39 125.07 87.66 Favored Pre-proline 0 N--CA 1.449 -0.508 0 C-N-CA 124.639 1.176 . . . . 0.0 112.339 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -98.17 68.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 CA-C-N 123.12 2.15 . . . . 0.0 107.862 -163.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p -65.9 -43.17 88.99 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 85.37 18.74 0.12 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 129.039 2.935 . . . . 0.0 109.817 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -160.71 8.4 0.09 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.094 -1.004 . . . . 0.0 111.049 -170.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.422 -1.424 . . . . 0.0 113.077 -170.508 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 N--CA 1.437 -1.099 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.39 151.36 77.25 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 125.502 1.521 . . . . 0.0 111.903 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.96 71.28 5.65 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.898 2.398 . . . . 0.0 111.553 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -82.4 -19.2 39.59 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 59.33 42.07 18.77 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.188 2.195 . . . . 0.0 110.606 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -173.78 -4.74 0.01 OUTLIER 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.884 1.274 . . . . 0.0 113.211 -176.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.352 0.696 0 O-C-N 120.489 -1.382 . . . . 0.0 112.746 -164.256 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.653 0.74 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -108.26 107.11 59.87 Favored Pre-proline 0 N--CA 1.45 -0.427 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -99.51 71.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.513 1.933 . . . . 0.0 107.347 -167.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -87.02 2.94 47.97 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt 64.42 62.65 0.8 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.083 1.753 . . . . 0.0 113.994 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.05 -33.78 2.63 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 121.396 -0.815 . . . . 0.0 110.105 163.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.289 -1.507 . . . . 0.0 110.343 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 tt -165.99 -50.75 0.0 OUTLIER Pre-proline 0 C--N 1.345 0.376 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.204 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.09 75.28 4.92 Favored 'Trans proline' 0 C--N 1.345 0.362 0 CA-C-N 125.382 2.958 . . . . 0.0 111.277 174.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -94.08 10.81 32.17 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 68.38 -18.62 0.16 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.102 2.561 . . . . 0.0 116.408 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 9.91 0.12 Allowed 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 120.613 -1.304 . . . . 0.0 109.085 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.349 -1.469 . . . . 0.0 113.455 -162.509 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 t80 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.05 -42.27 92.83 Favored Pre-proline 0 C--N 1.349 0.574 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.72 65.19 8.9 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 CA-C-N 125.733 3.083 . . . . 0.0 110.27 171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p -64.96 -42.85 94.22 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm 84.1 18.78 0.18 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 128.395 2.678 . . . . 0.0 109.748 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -160.83 11.2 0.1 Allowed 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.748 -172.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--N 1.35 0.629 0 C-N-CA 124.564 1.146 . . . . 0.0 113.525 -171.653 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp 60.52 174.89 0.05 OUTLIER Pre-proline 0 C--N 1.352 0.681 0 C-N-CA 126.917 2.087 . . . . 0.0 114.036 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -75.51 74.98 4.07 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 O-C-N 117.32 -1.99 . . . . 0.0 110.066 167.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.63 -15.67 60.3 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm 75.84 40.08 0.29 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 127.248 2.219 . . . . 0.0 112.293 172.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -123.6 16.25 9.56 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.739 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.348 0.538 0 O-C-N 120.131 -1.606 . . . . 0.0 112.813 -175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.95 107.59 58.95 Favored Pre-proline 0 C--N 1.347 0.481 0 O-C-N 120.564 -1.335 . . . . 0.0 109.714 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -100.0 70.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.434 0 CA-C-N 122.429 1.903 . . . . 0.0 107.402 -167.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p -75.07 -11.56 60.12 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 65.16 55.08 1.14 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.594 1.957 . . . . 0.0 111.94 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -140.39 18.3 2.39 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 126.197 1.799 . . . . 0.0 109.795 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.146 -1.596 . . . . 0.0 111.683 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.744 0.783 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.4 106.37 58.48 Favored Pre-proline 0 N--CA 1.449 -0.517 0 O-C-N 120.959 -1.088 . . . . 0.0 108.144 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -99.68 61.88 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.43 0 CA-C-N 122.772 2.026 . . . . 0.0 107.611 -165.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p -89.4 10.24 23.3 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.267 5.4 tmtm? 49.21 53.06 13.28 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 127.656 2.382 . . . . 0.0 114.063 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -14.66 14.87 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.939 -1.101 . . . . 0.0 109.103 170.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.243 0.726 0 O-C-N 120.379 -1.45 . . . . 0.0 110.752 166.694 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.75 0.786 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.2 tp -112.71 106.65 55.35 Favored Pre-proline 0 N--CA 1.447 -0.601 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -100.41 61.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -76.66 -43.0 39.8 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER 87.05 25.31 0.05 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.896 2.478 . . . . 0.0 109.712 -165.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.86 2.99 0.03 OUTLIER 'General case' 0 C--N 1.353 0.718 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.351 0.636 0 C-N-CA 124.639 1.175 . . . . 0.0 111.434 -165.089 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.09 178.58 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.834 0 C-N-CA 125.656 1.582 . . . . 0.0 113.751 -172.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -77.63 71.16 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 O-C-N 117.035 -2.139 . . . . 0.0 110.412 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -66.22 -43.23 87.27 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 85.3 20.34 0.1 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 128.559 2.744 . . . . 0.0 109.865 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -161.5 8.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.428 -0.795 . . . . 0.0 110.887 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.352 0.677 0 O-C-N 120.384 -1.448 . . . . 0.0 113.273 -169.853 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -137.33 160.43 65.61 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.41 68.8 7.43 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.715 2.276 . . . . 0.0 110.527 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -96.56 2.76 52.64 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 60.21 53.38 4.47 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.775 1.23 . . . . 0.0 112.575 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -4.11 0.07 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -176.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.35 0.611 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 169.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.87 0.843 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.55 125.11 87.94 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 124.534 1.134 . . . . 0.0 112.221 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -98.05 67.29 0.09 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.427 0 CA-C-N 123.098 2.142 . . . . 0.0 107.862 -163.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -146.38 14.62 1.27 Allowed 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.78 -25.29 0.15 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.842 2.057 . . . . 0.0 115.317 168.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -112.56 126.77 55.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.446 -0.638 0 O-C-N 120.658 -1.276 . . . . 0.0 109.165 -172.509 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.843 0.83 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.11 119.9 74.69 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.433 1.093 . . . . 0.0 112.162 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -100.15 67.25 0.05 OUTLIER 'Trans proline' 0 CA--C 1.517 -0.336 0 CA-C-N 123.824 2.401 . . . . 0.0 108.924 -155.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -87.3 6.43 33.45 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 65.67 51.01 1.51 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.581 1.952 . . . . 0.0 112.99 163.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -125.87 -36.24 2.41 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.685 0.794 . . . . 0.0 110.518 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.35 0.588 0 O-C-N 120.514 -1.366 . . . . 0.0 110.65 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.96 150.2 78.81 Favored Pre-proline 0 C--N 1.349 0.544 0 O-C-N 120.665 -1.272 . . . . 0.0 112.25 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.63 74.36 4.35 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.916 2.41 . . . . 0.0 111.914 -174.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p -93.12 14.38 18.12 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? 65.42 44.39 3.14 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.95 1.7 . . . . 0.0 113.894 168.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -107.1 -25.45 11.56 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.518 -1.364 . . . . 0.0 110.983 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.348 0.516 0 O-C-N 120.562 -1.336 . . . . 0.0 110.008 175.024 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.486 0.536 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.233 0.273 0 CA-C-O 121.875 0.698 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 N--CA 1.463 -0.286 0 CA-C-O 121.736 0.64 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p . . . . . 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo . . . . . 0 C--O 1.233 0.245 0 CA-C-O 121.666 0.611 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.655 0.606 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo . . . . . 0 C--O 1.233 0.271 0 CA-C-O 122.069 0.779 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo . . . . . 0 N--CA 1.46 -0.459 0 N-CA-C 107.347 -1.828 . . . . 0.0 107.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p . . . . . 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 121.504 0.544 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo . . . . . 0 N--CA 1.462 -0.344 0 N-CA-C 110.27 -0.704 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo . . . . . 0 N--CA 1.462 -0.353 0 N-CA-C 110.066 -0.782 . . . . 0.0 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 107.402 -1.807 . . . . 0.0 107.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.515 -0.43 0 N-CA-C 107.611 -1.726 . . . . 0.0 107.611 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo . . . . . 0 N--CA 1.463 -0.274 0 N-CA-C 110.412 -0.649 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p . . . . . 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.877 0.699 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo . . . . . 0 CA--C 1.515 -0.427 0 N-CA-C 107.862 -1.63 . . . . 0.0 107.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.517 -0.336 0 N-CA-C 108.924 -1.221 . . . . 0.0 108.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.234 0.32 0 CA-C-O 122.004 0.752 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 121.707 0.765 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.2 mt -112.08 105.85 56.3 Favored Pre-proline 0 N--CA 1.448 -0.542 0 O-C-N 121.14 -0.975 . . . . 0.0 109.778 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -99.78 64.51 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.455 0 N-CA-C 107.288 -1.851 . . . . 0.0 107.288 -167.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.18 -44.39 95.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 C-N-CA 124.907 1.283 . . . . 0.0 114.252 -170.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.48 -43.38 97.47 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.391 -1.443 . . . . 0.0 113.309 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.2 96.53 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 124.141 0.977 . . . . 0.0 112.587 174.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 t -62.49 -44.52 96.19 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.884 -1.135 . . . . 0.0 112.959 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.39 -47.39 86.27 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.552 -1.343 . . . . 0.0 112.638 175.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.19 76.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.94 1.22 39.58 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.565 -1.334 . . . . 0.0 114.318 -167.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 -25.52 1.19 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.486 -1.383 . . . . 0.0 112.065 174.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -100.88 -1.88 33.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.887 -1.758 . . . . 0.0 112.01 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.56 -56.48 6.39 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 118.092 1.997 . . . . 0.0 118.092 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -80.63 -22.75 6.35 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 CA-C-N 122.305 3.052 . . . . 0.0 110.348 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -66.18 -39.88 90.05 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 111.908 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.8 tp -61.8 -44.03 97.67 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 126.806 2.042 . . . . 0.0 112.407 172.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.91 -45.15 95.79 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 121.247 -0.908 . . . . 0.0 111.803 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 t -62.52 -44.5 96.2 Favored 'General case' 0 C--N 1.346 0.45 0 O-C-N 120.503 -1.373 . . . . 0.0 114.465 176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.1 -34.3 72.94 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.439 -1.413 . . . . 0.0 114.269 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.266 6.0 p -67.29 -45.31 86.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 O-C-N 119.676 -1.89 . . . . 0.0 112.98 174.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.3 p -76.41 -23.24 54.01 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 120.659 -1.276 . . . . 0.0 113.824 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm 77.57 11.1 2.19 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 127.428 2.291 . . . . 0.0 111.15 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -161.69 2.37 0.06 Allowed 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.102 -0.999 . . . . 0.0 111.639 -160.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.61 -1.306 . . . . 0.0 112.986 -171.083 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.436 -1.15 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.75 77.43 1.35 Allowed Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 125.193 1.397 . . . . 0.0 111.928 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -80.83 65.48 8.92 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.553 2.169 . . . . 0.0 111.152 -176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.26 -42.63 91.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.667 1.587 . . . . 0.0 113.958 -173.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.11 -42.77 99.62 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.439 -1.413 . . . . 0.0 113.298 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.41 96.27 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.103 -0.998 . . . . 0.0 112.509 174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.8 t -61.71 -43.51 98.71 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.997 -1.064 . . . . 0.0 112.692 173.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.23 -48.51 81.44 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.084 -1.635 . . . . 0.0 112.931 174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.61 -47.97 68.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 O-C-N 120.395 -1.441 . . . . 0.0 114.887 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 -0.26 33.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 120.246 -1.534 . . . . 0.0 113.814 -166.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -27.46 1.49 Allowed 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.995 -1.066 . . . . 0.0 111.946 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -100.76 0.03 38.05 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.088 -1.633 . . . . 0.0 111.897 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.74 -57.05 7.0 Favored Glycine 0 C--N 1.351 1.385 0 N-CA-C 118.016 1.967 . . . . 0.0 118.016 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -82.05 -20.33 6.37 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 CA-C-N 122.278 3.039 . . . . 0.0 110.213 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -65.64 -39.36 91.34 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.225 1.41 . . . . 0.0 111.869 174.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -61.19 -44.11 97.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.135 1.374 . . . . 0.0 112.249 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -61.94 -45.34 94.13 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.154 -0.966 . . . . 0.0 112.62 174.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 p -65.41 -39.87 92.68 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 119.949 -1.719 . . . . 0.0 114.177 176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 2.9 pp -68.51 -43.53 76.6 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.715 -1.866 . . . . 0.0 114.036 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.0 p -66.22 -34.13 68.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 O-C-N 120.793 -1.192 . . . . 0.0 112.967 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.5 p -88.41 3.34 50.3 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 120.12 -1.612 . . . . 0.0 111.446 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt 60.95 54.3 3.48 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.228 1.811 . . . . 0.0 112.881 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -138.57 11.19 2.72 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 125.383 1.473 . . . . 0.0 111.461 -176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.347 0.463 0 O-C-N 119.784 -1.822 . . . . 0.0 111.902 -174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.3 t80 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.74 149.21 85.57 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 125.023 1.329 . . . . 0.0 111.766 173.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -76.78 73.0 5.49 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.699 2.266 . . . . 0.0 111.774 -174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.27 -44.68 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 126.662 1.985 . . . . 0.0 113.192 -173.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.97 -43.78 97.85 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.645 -1.285 . . . . 0.0 113.929 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.41 96.21 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 121.048 -1.032 . . . . 0.0 112.446 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.2 t -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.35 0.602 0 O-C-N 120.915 -1.116 . . . . 0.0 113.059 174.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -49.06 78.98 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.339 1.455 . . . . 0.0 111.963 175.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -48.1 78.81 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.197 -1.564 . . . . 0.0 113.667 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.36 -43.58 69.87 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.86 -22.41 13.51 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.108 -1.62 . . . . 0.0 111.764 -171.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -112.36 3.71 17.17 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 120.484 -1.385 . . . . 0.0 111.756 -172.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.67 -55.55 9.44 Favored Glycine 0 C--N 1.35 1.342 0 N-CA-C 116.58 1.392 . . . . 0.0 116.58 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -79.25 -20.02 10.09 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 CA-C-N 121.756 2.778 . . . . 0.0 110.5 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -38.2 83.53 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-O 121.727 0.775 . . . . 0.0 111.908 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.55 -43.88 98.05 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 125.667 1.587 . . . . 0.0 112.508 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -61.35 -44.82 96.54 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 120.839 -1.163 . . . . 0.0 112.26 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -65.64 -37.46 86.6 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.028 -1.67 . . . . 0.0 114.636 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.5 pp -70.35 -42.37 71.93 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.915 -1.741 . . . . 0.0 114.113 175.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -65.5 -38.9 83.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 O-C-N 120.246 -1.534 . . . . 0.0 112.797 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.8 p -74.42 -15.53 60.91 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.36 -1.463 . . . . 0.0 112.618 174.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 69.89 46.68 0.65 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.508 1.923 . . . . 0.0 112.498 174.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -132.71 25.45 4.36 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 125.278 1.431 . . . . 0.0 109.747 -178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.241 0.629 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 -157.147 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 121.85 0.833 . . . . 0.0 109.78 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.9 146.96 96.83 Favored Pre-proline 0 C--N 1.349 0.566 0 O-C-N 120.402 -1.437 . . . . 0.0 111.871 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.02 78.47 3.16 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.547 2.164 . . . . 0.0 112.311 -171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.57 -41.3 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 C-N-CA 126.363 1.865 . . . . 0.0 113.765 -175.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.27 -42.86 99.71 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.476 -1.39 . . . . 0.0 113.32 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.66 -42.05 95.66 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.146 -0.971 . . . . 0.0 112.467 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 t -61.54 -43.37 98.99 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 121.015 -1.053 . . . . 0.0 112.885 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.61 -50.41 73.64 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.247 -1.533 . . . . 0.0 112.687 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.67 76.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.76 7.12 45.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 120.385 -1.447 . . . . 0.0 113.143 -169.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tppm? -150.14 -17.69 0.25 Allowed 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 119.78 -1.825 . . . . 0.0 113.752 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.55 1.55 32.35 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.714 -1.866 . . . . 0.0 111.526 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.72 -57.2 6.89 Favored Glycine 0 C--N 1.352 1.428 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.49 -20.06 7.2 Favored 'Trans proline' 0 CA--C 1.519 -0.267 0 CA-C-N 122.175 2.988 . . . . 0.0 110.188 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -65.62 -38.84 90.56 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.083 1.353 . . . . 0.0 111.95 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.6 tp -60.91 -44.02 97.76 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 125.106 1.363 . . . . 0.0 112.389 171.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -62.28 -45.57 92.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 121.082 -1.011 . . . . 0.0 112.46 173.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.9 p -65.08 -39.24 92.92 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.093 -1.629 . . . . 0.0 114.152 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.284 2.7 pp -68.68 -42.76 77.37 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 119.72 -1.863 . . . . 0.0 114.33 175.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -65.58 -39.34 84.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 O-C-N 119.904 -1.747 . . . . 0.0 113.026 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.9 p -77.23 -8.97 58.46 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.396 -1.44 . . . . 0.0 112.018 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 64.09 46.85 3.53 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.804 2.041 . . . . 0.0 111.636 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 6.48 9.87 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.804 1.642 . . . . 0.0 110.577 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.199 -1.563 . . . . 0.0 113.217 -169.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 34.4 t80 . . . . . 0 N--CA 1.437 -1.107 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.4 148.14 86.34 Favored Pre-proline 0 N--CA 1.449 -0.513 0 C-N-CA 125.015 1.326 . . . . 0.0 111.817 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.58 76.54 3.96 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.694 2.262 . . . . 0.0 112.26 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -42.95 88.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 C-N-CA 126.559 1.944 . . . . 0.0 113.297 -174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.52 -42.57 99.6 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.49 -41.86 96.2 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 121.022 -1.049 . . . . 0.0 112.353 174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -62.33 -43.05 99.72 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.058 -1.026 . . . . 0.0 112.561 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.23 -47.36 85.65 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 120.518 -1.364 . . . . 0.0 111.803 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.34 -46.72 79.13 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 174.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.28 -8.05 30.69 Favored 'General case' 0 C--N 1.349 0.548 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -166.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -125.39 -34.3 2.72 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.686 -1.259 . . . . 0.0 110.621 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -98.36 -0.78 43.07 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 119.842 -1.786 . . . . 0.0 112.971 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.64 -56.24 7.51 Favored Glycine 0 C--N 1.349 1.276 0 N-CA-C 116.998 1.559 . . . . 0.0 116.998 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -77.21 -25.74 8.26 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 CA-C-N 121.979 2.89 . . . . 0.0 110.606 178.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -39.93 94.61 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.086 0.955 . . . . 0.0 112.42 175.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.21 -45.76 90.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.545 1.938 . . . . 0.0 112.504 172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -60.35 -44.77 95.24 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 120.85 -1.157 . . . . 0.0 111.879 174.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 t -63.0 -37.73 88.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.262 3.2 pp -74.14 -44.27 54.33 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 119.408 -2.057 . . . . 0.0 113.953 173.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.36 -31.67 53.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 120.766 -1.209 . . . . 0.0 113.101 -177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 p -87.52 12.17 13.04 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.117 -1.614 . . . . 0.0 111.371 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.5 tttt 60.77 48.75 6.74 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 126.294 1.838 . . . . 0.0 112.119 170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -41.32 3.18 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.866 -1.146 . . . . 0.0 110.213 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.349 0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 111.61 174.887 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 N--CA 1.44 -0.949 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.25 147.67 86.59 Favored Pre-proline 0 C--N 1.349 0.58 0 O-C-N 120.575 -1.328 . . . . 0.0 112.106 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -75.1 80.59 2.42 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.661 2.241 . . . . 0.0 112.689 -170.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.43 -41.04 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 126.226 1.81 . . . . 0.0 114.037 -174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.77 -43.34 99.06 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.518 -1.364 . . . . 0.0 113.573 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.87 -42.52 94.77 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 121.131 -0.981 . . . . 0.0 112.244 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -62.2 -41.29 98.23 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 121.036 -1.04 . . . . 0.0 113.043 173.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -49.83 75.98 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 120.337 -1.477 . . . . 0.0 111.722 175.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.91 78.84 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 120.513 -1.367 . . . . 0.0 114.305 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.96 8.18 45.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.585 -1.322 . . . . 0.0 113.329 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.9 -25.64 0.49 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 119.891 -1.756 . . . . 0.0 113.877 173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -105.64 0.62 26.56 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.104 -1.622 . . . . 0.0 111.785 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.58 -55.89 7.71 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 117.081 1.592 . . . . 0.0 117.081 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -78.2 -23.54 8.84 Favored 'Trans proline' 0 CA--C 1.517 -0.337 0 CA-C-N 121.983 2.891 . . . . 0.0 110.518 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -64.42 -36.5 84.35 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.284 0.634 . . . . 0.0 112.22 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.75 -46.24 89.74 Favored 'General case' 0 C--N 1.348 0.503 0 C-N-CA 125.351 1.46 . . . . 0.0 112.05 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.21 -45.12 94.79 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.974 -1.079 . . . . 0.0 112.604 175.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -78.97 -19.97 50.35 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 119.699 -1.875 . . . . 0.0 114.205 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.286 1.8 pp -76.44 -41.12 48.58 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 118.622 -2.549 . . . . 0.0 113.243 169.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.23 -31.76 55.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 120.551 -1.343 . . . . 0.0 112.573 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.4 p -87.57 13.65 9.84 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 120.302 -1.498 . . . . 0.0 111.305 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt 64.26 46.05 3.68 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.952 2.101 . . . . 0.0 113.336 165.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.39 -45.05 2.45 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.464 1.106 . . . . 0.0 110.201 176.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 C--O 1.242 0.71 0 O-C-N 120.415 -1.428 . . . . 0.0 112.303 -172.683 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.444 -0.763 0 CA-C-O 121.875 0.845 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.39 125.07 87.66 Favored Pre-proline 0 N--CA 1.449 -0.508 0 C-N-CA 124.639 1.176 . . . . 0.0 112.339 -176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -98.17 68.37 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 CA-C-N 123.12 2.15 . . . . 0.0 107.862 -163.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -43.82 92.19 Favored 'Isoleucine or valine' 0 C--N 1.346 0.417 0 C-N-CA 125.736 1.614 . . . . 0.0 113.437 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.49 -42.8 99.74 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.476 -1.39 . . . . 0.0 114.359 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.31 91.04 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.925 -1.109 . . . . 0.0 112.147 174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -61.87 -42.21 98.78 Favored 'General case' 0 C--N 1.348 0.535 0 O-C-N 121.189 -0.945 . . . . 0.0 112.574 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -49.25 78.4 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.3 -1.5 . . . . 0.0 111.988 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.1 -47.22 74.9 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.97 2.68 46.61 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.571 -1.331 . . . . 0.0 113.826 -168.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.47 -24.35 0.65 Allowed 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.165 -1.584 . . . . 0.0 112.994 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -102.16 -2.51 29.17 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.151 -1.593 . . . . 0.0 111.944 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.9 -55.79 6.16 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 118.223 2.049 . . . . 0.0 118.223 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -79.05 -23.86 7.38 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 CA-C-N 122.572 3.186 . . . . 0.0 110.695 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -66.42 -39.54 89.02 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.132 0.973 . . . . 0.0 111.913 173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.2 tp -61.42 -44.43 97.13 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 126.435 1.894 . . . . 0.0 112.368 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.79 -45.66 93.53 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 121.212 -0.93 . . . . 0.0 111.84 172.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 t -62.38 -44.04 97.38 Favored 'General case' 0 C--N 1.347 0.472 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -69.79 -38.79 76.79 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.97 -41.46 87.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 120.214 -1.554 . . . . 0.0 113.191 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.4 p -65.9 -43.17 88.99 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 119.786 -1.821 . . . . 0.0 111.861 171.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 85.37 18.74 0.12 Allowed 'General case' 0 C--N 1.353 0.74 0 C-N-CA 129.039 2.935 . . . . 0.0 109.817 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -160.71 8.4 0.09 Allowed 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 121.094 -1.004 . . . . 0.0 111.049 -170.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.8 m . . . . . 0 C--N 1.351 0.66 0 O-C-N 120.422 -1.424 . . . . 0.0 113.077 -170.508 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 t80 . . . . . 0 N--CA 1.437 -1.099 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mp -61.39 151.36 77.25 Favored Pre-proline 0 N--CA 1.447 -0.582 0 C-N-CA 125.502 1.521 . . . . 0.0 111.903 172.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -75.96 71.28 5.65 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.898 2.398 . . . . 0.0 111.553 -177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -60.15 -41.84 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 C-N-CA 126.718 2.007 . . . . 0.0 113.982 -172.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.37 -43.63 98.36 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.624 -1.297 . . . . 0.0 113.94 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.68 -43.01 94.94 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 121.115 -0.991 . . . . 0.0 112.317 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.25 -42.42 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 121.252 -0.905 . . . . 0.0 112.852 174.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -59.39 -47.12 86.67 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 125.178 1.391 . . . . 0.0 112.076 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.02 89.93 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.162 -0.961 . . . . 0.0 113.542 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.2 84.14 Favored 'General case' 0 C--N 1.349 0.551 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -77.98 -38.43 45.07 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.258 -1.526 . . . . 0.0 113.884 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -101.45 7.37 42.54 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.119 -1.613 . . . . 0.0 113.084 -173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.15 -54.98 7.91 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 117.423 1.729 . . . . 0.0 117.423 171.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -78.78 -22.62 8.82 Favored 'Trans proline' 0 CA--C 1.519 -0.247 0 CA-C-N 122.574 3.187 . . . . 0.0 110.612 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -65.55 -37.72 87.52 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.447 1.099 . . . . 0.0 112.03 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.0 tp -60.65 -43.92 97.02 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 125.225 1.41 . . . . 0.0 112.767 173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -60.67 -43.8 97.23 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.149 -0.97 . . . . 0.0 111.766 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.5 t -61.97 -46.05 90.95 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.96 -35.63 69.62 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.72 -41.89 93.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 O-C-N 119.764 -1.835 . . . . 0.0 113.665 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 65.1 p -82.4 -19.2 39.59 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.898 -1.126 . . . . 0.0 112.338 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mptt 59.33 42.07 18.77 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.188 2.195 . . . . 0.0 110.606 -173.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -173.78 -4.74 0.01 OUTLIER 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.884 1.274 . . . . 0.0 113.211 -176.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 C--N 1.352 0.696 0 O-C-N 120.489 -1.382 . . . . 0.0 112.746 -164.256 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 121.653 0.74 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.5 mp -108.26 107.11 59.87 Favored Pre-proline 0 N--CA 1.45 -0.427 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -99.51 71.18 0.06 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.459 0 CA-C-N 122.513 1.933 . . . . 0.0 107.347 -167.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -59.42 -42.91 89.17 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 124.972 1.309 . . . . 0.0 114.283 -171.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -62.1 -42.61 99.4 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.373 -1.454 . . . . 0.0 114.094 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.07 91.95 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.849 -1.157 . . . . 0.0 112.362 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -61.61 -43.61 98.54 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.017 -1.052 . . . . 0.0 112.745 173.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -60.86 -51.21 70.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.43 -1.419 . . . . 0.0 112.711 173.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.78 -47.01 76.61 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.45 -1.406 . . . . 0.0 114.66 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.98 10.13 41.46 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 120.389 -1.444 . . . . 0.0 112.903 -169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.37 -9.67 0.14 Allowed 'General case' 0 C--N 1.347 0.468 0 O-C-N 120.212 -1.555 . . . . 0.0 114.203 177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -109.7 -0.66 18.44 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 119.687 -1.883 . . . . 0.0 111.281 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.15 -58.57 6.28 Favored Glycine 0 C--N 1.352 1.443 0 N-CA-C 118.332 2.093 . . . . 0.0 118.332 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -82.24 -22.1 5.1 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 CA-C-N 122.208 3.004 . . . . 0.0 109.987 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -63.85 -39.35 94.01 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.883 1.673 . . . . 0.0 111.797 174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.38 -45.56 93.86 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 125.912 1.685 . . . . 0.0 112.103 173.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.53 -44.33 97.26 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.883 -1.135 . . . . 0.0 111.909 173.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 t -62.27 -41.9 98.87 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 120.66 -1.275 . . . . 0.0 114.372 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.251 3.4 pp -72.23 -43.79 63.88 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.684 -1.885 . . . . 0.0 114.178 173.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -66.76 -33.23 62.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 120.045 -1.659 . . . . 0.0 113.102 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -87.02 2.94 47.97 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 120.223 -1.548 . . . . 0.0 110.89 176.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.0 mtmt 64.42 62.65 0.8 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 126.083 1.753 . . . . 0.0 113.994 172.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.05 -33.78 2.63 Favored 'General case' 0 C--N 1.345 0.406 0 O-C-N 121.396 -0.815 . . . . 0.0 110.105 163.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 91.4 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.289 -1.507 . . . . 0.0 110.343 176.518 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.5 t80 . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 tt -165.99 -50.75 0.0 OUTLIER Pre-proline 0 C--N 1.345 0.376 0 CA-C-O 117.214 -1.374 . . . . 0.0 110.204 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -78.09 75.28 4.92 Favored 'Trans proline' 0 C--N 1.345 0.362 0 CA-C-N 125.382 2.958 . . . . 0.0 111.277 174.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -59.54 -41.75 85.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 C-N-CA 125.816 1.647 . . . . 0.0 113.898 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.09 -42.32 99.09 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.434 -1.416 . . . . 0.0 113.433 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.44 -41.46 96.54 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 121.037 -1.039 . . . . 0.0 112.547 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -62.04 -43.9 97.84 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.038 -1.039 . . . . 0.0 112.76 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.32 -47.22 86.91 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.188 -1.57 . . . . 0.0 113.02 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.59 65.39 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 176.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.61 -1.8 29.58 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.357 -1.464 . . . . 0.0 113.894 -166.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -132.34 -24.84 2.02 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.874 -1.141 . . . . 0.0 111.482 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -103.4 -1.62 28.29 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.16 -1.587 . . . . 0.0 111.406 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.08 -56.85 5.79 Favored Glycine 0 C--N 1.351 1.395 0 N-CA-C 118.667 2.227 . . . . 0.0 118.667 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -81.42 -21.95 6.0 Favored 'Trans proline' 0 C--N 1.333 -0.255 0 CA-C-N 122.502 3.151 . . . . 0.0 110.488 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -65.29 -40.7 94.19 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.552 1.541 . . . . 0.0 111.739 174.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.84 -44.52 96.86 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.365 1.466 . . . . 0.0 112.528 171.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.18 -43.81 98.28 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 121.318 -0.864 . . . . 0.0 112.14 173.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.6 t -61.64 -47.05 87.14 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 120.799 -1.188 . . . . 0.0 114.069 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.0 -39.27 72.51 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 p -71.17 -24.92 24.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 O-C-N 120.099 -1.626 . . . . 0.0 112.381 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 60.3 p -94.08 10.81 32.17 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.55 -1.344 . . . . 0.0 110.962 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 68.38 -18.62 0.16 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 128.102 2.561 . . . . 0.0 116.408 168.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.25 9.91 0.12 Allowed 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 120.613 -1.304 . . . . 0.0 109.085 -170.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.678 0 O-C-N 120.349 -1.469 . . . . 0.0 113.455 -162.509 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 t80 . . . . . 0 N--CA 1.44 -0.963 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.05 -42.27 92.83 Favored Pre-proline 0 C--N 1.349 0.574 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.72 65.19 8.9 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 CA-C-N 125.733 3.083 . . . . 0.0 110.27 171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -59.95 -40.54 83.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 C-N-CA 126.269 1.828 . . . . 0.0 113.814 -172.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -61.57 -41.9 98.08 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.387 -1.445 . . . . 0.0 114.025 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.2 92.17 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.853 -1.154 . . . . 0.0 112.004 173.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.41 -41.65 97.49 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 121.001 -1.062 . . . . 0.0 112.943 173.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -58.55 -47.87 82.79 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.039 -1.663 . . . . 0.0 113.239 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.93 29.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 176.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.14 7.48 43.19 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.291 -1.506 . . . . 0.0 113.16 -165.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -140.15 -26.88 0.76 Allowed 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 119.701 -1.874 . . . . 0.0 111.872 171.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 4.29 28.38 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.416 -1.427 . . . . 0.0 113.989 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.4 -56.23 6.39 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -79.5 -23.5 7.17 Favored 'Trans proline' 0 CA--C 1.519 -0.24 0 CA-C-N 122.701 3.251 . . . . 0.0 110.649 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -64.88 -38.93 92.6 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.009 1.324 . . . . 0.0 111.881 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.99 -45.49 94.59 Favored 'General case' 0 C--N 1.35 0.59 0 C-N-CA 126.124 1.77 . . . . 0.0 111.764 173.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.93 -46.12 91.95 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 121.231 -0.918 . . . . 0.0 112.095 172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 t -62.33 -43.93 97.67 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 pp -69.32 -38.2 78.1 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 175.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.05 -41.96 84.83 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 120.085 -1.635 . . . . 0.0 113.265 177.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.4 p -64.96 -42.85 94.22 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 120.032 -1.668 . . . . 0.0 111.698 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm 84.1 18.78 0.18 Allowed 'General case' 0 C--N 1.352 0.699 0 C-N-CA 128.395 2.678 . . . . 0.0 109.748 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -160.83 11.2 0.1 Allowed 'General case' 0 N--CA 1.449 -0.514 0 O-C-N 121.447 -0.783 . . . . 0.0 110.748 -172.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--N 1.35 0.629 0 C-N-CA 124.564 1.146 . . . . 0.0 113.525 -171.653 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp 60.52 174.89 0.05 OUTLIER Pre-proline 0 C--N 1.352 0.681 0 C-N-CA 126.917 2.087 . . . . 0.0 114.036 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -75.51 74.98 4.07 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 O-C-N 117.32 -1.99 . . . . 0.0 110.066 167.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -59.22 -42.31 86.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 C-N-CA 125.937 1.695 . . . . 0.0 114.176 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.38 -42.7 99.62 Favored 'General case' 0 C--N 1.349 0.543 0 O-C-N 120.275 -1.516 . . . . 0.0 113.455 177.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.92 94.19 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.943 -1.098 . . . . 0.0 112.512 173.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -61.99 -44.12 97.41 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.919 -1.113 . . . . 0.0 112.988 173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -61.27 -47.94 83.69 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.391 -1.443 . . . . 0.0 112.589 173.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.41 79.97 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 119.945 -1.722 . . . . 0.0 114.464 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.63 -1.98 33.93 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.494 -1.379 . . . . 0.0 114.137 -169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -0.6 1.96 Allowed 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.348 -1.47 . . . . 0.0 112.205 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -120.49 1.76 10.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.997 -1.689 . . . . 0.0 111.996 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.47 -59.54 7.07 Favored Glycine 0 C--N 1.353 1.499 0 N-CA-C 118.237 2.055 . . . . 0.0 118.237 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -83.77 -18.18 5.66 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 122.14 2.97 . . . . 0.0 109.651 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.68 -38.27 88.82 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 126.081 1.752 . . . . 0.0 111.774 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.45 -44.58 95.69 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.427 1.491 . . . . 0.0 111.728 171.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.73 -46.15 90.88 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 121.014 -1.054 . . . . 0.0 112.308 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -64.51 -40.34 95.46 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 120.285 -1.509 . . . . 0.0 114.261 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.28 2.5 pp -69.27 -41.09 77.33 Favored 'General case' 0 C--N 1.354 0.761 0 O-C-N 120.307 -1.496 . . . . 0.0 114.366 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 p -65.56 -38.78 83.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 O-C-N 120.208 -1.558 . . . . 0.0 113.141 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.63 -15.67 60.3 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 119.766 -1.834 . . . . 0.0 111.775 173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmm 75.84 40.08 0.29 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 127.248 2.219 . . . . 0.0 112.293 172.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -123.6 16.25 9.56 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.739 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.348 0.538 0 O-C-N 120.131 -1.606 . . . . 0.0 112.813 -175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.44 -0.964 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.1 mt -109.95 107.59 58.95 Favored Pre-proline 0 C--N 1.347 0.481 0 O-C-N 120.564 -1.335 . . . . 0.0 109.714 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -100.0 70.37 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.434 0 CA-C-N 122.429 1.903 . . . . 0.0 107.402 -167.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.58 -43.95 92.14 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -170.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.58 -43.19 97.7 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.275 -1.516 . . . . 0.0 113.347 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.58 96.39 Favored 'General case' 0 C--N 1.349 0.546 0 O-C-N 121.147 -0.97 . . . . 0.0 112.443 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 t -61.43 -44.12 97.68 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.993 -1.067 . . . . 0.0 112.721 173.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.22 -49.12 78.87 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.195 -1.566 . . . . 0.0 112.569 174.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.21 -48.51 73.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 120.159 -1.588 . . . . 0.0 114.36 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.9 6.17 46.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 120.28 -1.512 . . . . 0.0 113.333 -168.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.15 -0.78 0.3 Allowed 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.977 -1.077 . . . . 0.0 113.259 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.83 -5.34 8.03 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 119.686 -1.884 . . . . 0.0 112.51 168.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.71 -58.97 7.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 117.982 1.953 . . . . 0.0 117.982 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -80.81 -18.05 9.33 Favored 'Trans proline' 0 CA--C 1.517 -0.362 0 CA-C-N 121.828 2.814 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -66.12 -40.19 90.5 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.942 1.297 . . . . 0.0 111.618 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.9 tp -61.89 -42.96 99.7 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.741 -1.225 . . . . 0.0 112.45 171.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -61.75 -45.7 92.8 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 121.108 -0.995 . . . . 0.0 112.848 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -65.29 -35.74 81.94 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.008 -1.682 . . . . 0.0 113.298 174.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.32 -49.53 71.37 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.208 -1.558 . . . . 0.0 113.61 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.03 -39.31 84.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.056 -1.653 . . . . 0.0 113.112 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.0 p -75.07 -11.56 60.12 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.52 -1.362 . . . . 0.0 112.251 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 mtmm 65.16 55.08 1.14 Allowed 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.594 1.957 . . . . 0.0 111.94 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -140.39 18.3 2.39 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 126.197 1.799 . . . . 0.0 109.795 -176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.349 0.552 0 O-C-N 120.146 -1.596 . . . . 0.0 111.683 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 N--CA 1.443 -0.816 0 CA-C-O 121.744 0.783 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.4 106.37 58.48 Favored Pre-proline 0 N--CA 1.449 -0.517 0 O-C-N 120.959 -1.088 . . . . 0.0 108.144 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -99.68 61.88 0.05 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.43 0 CA-C-N 122.772 2.026 . . . . 0.0 107.611 -165.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -45.88 94.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 C-N-CA 125.515 1.526 . . . . 0.0 113.836 -171.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.53 -43.12 95.03 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.502 -1.374 . . . . 0.0 113.258 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 -41.46 97.76 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.547 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -62.29 -43.48 98.73 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.869 -1.144 . . . . 0.0 112.905 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.3 -46.25 89.07 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 120.364 -1.46 . . . . 0.0 113.348 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.2 29.56 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.52 -3.57 23.75 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.23 -1.544 . . . . 0.0 114.381 -163.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -120.68 -33.75 3.73 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 120.792 -1.193 . . . . 0.0 109.449 171.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -101.09 0.08 37.22 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.018 -1.676 . . . . 0.0 114.049 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.47 -55.32 6.96 Favored Glycine 0 C--N 1.35 1.357 0 N-CA-C 117.869 1.907 . . . . 0.0 117.869 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -79.01 -21.45 9.42 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 CA-C-N 122.299 3.05 . . . . 0.0 110.823 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -66.69 -39.18 88.0 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.642 1.177 . . . . 0.0 112.495 173.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.52 -42.9 99.5 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 125.073 1.349 . . . . 0.0 112.327 170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.63 -45.49 90.02 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 120.87 -1.144 . . . . 0.0 113.145 172.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.6 p -65.77 -39.61 91.2 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.347 1.2 pt? -71.23 -42.39 68.96 Favored 'General case' 0 C--N 1.356 0.861 0 O-C-N 119.676 -1.89 . . . . 0.0 114.219 177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.9 p -65.64 -35.41 75.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 CA-C-O 121.812 0.815 . . . . 0.0 113.197 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.0 p -89.4 10.24 23.3 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.012 -1.68 . . . . 0.0 111.289 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.267 5.4 tmtm? 49.21 53.06 13.28 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 127.656 2.382 . . . . 0.0 114.063 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 -14.66 14.87 Favored 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 120.939 -1.101 . . . . 0.0 109.103 170.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.3 m . . . . . 0 C--O 1.243 0.726 0 O-C-N 120.379 -1.45 . . . . 0.0 110.752 166.694 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 121.75 0.786 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 59.2 tp -112.71 106.65 55.35 Favored Pre-proline 0 N--CA 1.447 -0.601 0 O-C-N 120.973 -1.08 . . . . 0.0 109.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -100.41 61.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.431 0 N-CA-C 107.054 -1.941 . . . . 0.0 107.054 -168.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.52 -43.92 95.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 C-N-CA 124.754 1.222 . . . . 0.0 114.228 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.69 -43.52 96.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.418 -1.426 . . . . 0.0 113.235 177.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.46 -41.54 96.47 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.104 0.962 . . . . 0.0 112.551 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -61.63 -43.66 98.43 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 121.048 -1.033 . . . . 0.0 112.837 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.14 -49.29 77.85 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.348 -1.47 . . . . 0.0 112.78 173.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.76 -47.56 74.8 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 120.449 -1.407 . . . . 0.0 114.71 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.21 2.06 42.51 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.523 -1.361 . . . . 0.0 113.345 -169.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -0.94 0.49 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.176 -1.578 . . . . 0.0 112.687 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -118.84 1.25 11.52 Favored 'General case' 0 C--N 1.353 0.72 0 O-C-N 119.964 -1.71 . . . . 0.0 111.603 167.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.48 -59.46 5.3 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 118.971 2.348 . . . . 0.0 118.971 -174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -83.93 -22.91 3.34 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 CA-C-N 122.502 3.151 . . . . 0.0 109.87 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -62.95 -39.02 93.37 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.432 1.893 . . . . 0.0 111.706 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.76 -44.97 96.07 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.339 1.856 . . . . 0.0 112.151 172.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.73 -43.41 97.94 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.035 0.934 . . . . 0.0 112.07 174.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.74 -47.26 84.32 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 120.547 -1.346 . . . . 0.0 114.611 174.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.39 -39.48 74.51 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 O-C-N 119.979 -1.701 . . . . 0.0 112.703 -176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -76.66 -43.0 39.8 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 120.171 -1.58 . . . . 0.0 113.032 173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER 87.05 25.31 0.05 OUTLIER 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.896 2.478 . . . . 0.0 109.712 -165.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.86 2.99 0.03 OUTLIER 'General case' 0 C--N 1.353 0.718 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.351 0.636 0 C-N-CA 124.639 1.175 . . . . 0.0 111.434 -165.089 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 N--CA 1.437 -1.086 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.09 178.58 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.834 0 C-N-CA 125.656 1.582 . . . . 0.0 113.751 -172.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -77.63 71.16 6.61 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 O-C-N 117.035 -2.139 . . . . 0.0 110.412 171.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -59.67 -41.47 85.33 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 C-N-CA 126.134 1.774 . . . . 0.0 113.879 -174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.33 -42.55 99.47 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.407 -1.433 . . . . 0.0 113.406 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.02 96.04 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.99 -1.069 . . . . 0.0 112.49 173.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 t -61.55 -43.24 99.22 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 121.07 -1.019 . . . . 0.0 112.832 173.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -61.15 -48.74 80.19 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.226 -1.546 . . . . 0.0 112.893 173.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.44 -48.17 70.85 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.1 -3.18 29.7 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 120.482 -1.386 . . . . 0.0 113.68 -168.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.34 -20.45 1.86 Allowed 'General case' 0 C--N 1.346 0.44 0 O-C-N 120.644 -1.285 . . . . 0.0 111.996 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -104.87 -3.34 23.56 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.143 -1.598 . . . . 0.0 111.052 172.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.77 -57.82 6.52 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 118.357 2.103 . . . . 0.0 118.357 -177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -81.15 -22.8 5.7 Favored 'Trans proline' 0 CA--C 1.517 -0.351 0 CA-C-N 122.258 3.029 . . . . 0.0 110.297 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -64.41 -41.24 96.73 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.685 1.594 . . . . 0.0 111.794 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.3 -45.5 94.21 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 126.233 1.813 . . . . 0.0 111.885 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.55 -45.09 95.65 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.112 -0.993 . . . . 0.0 111.951 172.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 t -61.82 -44.98 95.77 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 0.6 OUTLIER -83.24 -20.65 34.15 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 114.401 1.259 . . . . 0.0 114.401 -179.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.74 -43.41 70.05 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 119.918 -1.739 . . . . 0.0 112.15 170.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -66.22 -43.23 87.27 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 120.046 -1.659 . . . . 0.0 111.486 172.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm 85.3 20.34 0.1 Allowed 'General case' 0 C--N 1.353 0.723 0 C-N-CA 128.559 2.744 . . . . 0.0 109.865 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -161.5 8.89 0.07 Allowed 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 121.428 -0.795 . . . . 0.0 110.887 -174.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.0 m . . . . . 0 C--N 1.352 0.677 0 O-C-N 120.384 -1.448 . . . . 0.0 113.273 -169.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 N--CA 1.438 -1.031 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 mp -137.33 160.43 65.61 Favored Pre-proline 0 N--CA 1.447 -0.58 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.41 68.8 7.43 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.715 2.276 . . . . 0.0 110.527 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.6 tt -60.82 -43.32 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 C-N-CA 125.814 1.646 . . . . 0.0 113.878 -172.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 pp -62.31 -41.76 98.79 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.36 -43.18 91.64 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.972 -1.08 . . . . 0.0 112.23 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -64.76 -40.99 96.19 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.819 -1.175 . . . . 0.0 112.854 174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.8 -42.81 84.98 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 125.921 1.688 . . . . 0.0 112.721 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.44 90.38 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.54 76.92 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.729 -1.232 . . . . 0.0 113.831 172.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -64.87 -38.59 91.48 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.612 -1.305 . . . . 0.0 114.028 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -101.29 0.8 37.92 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 120.85 -1.157 . . . . 0.0 113.007 -176.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.25 -59.11 5.97 Favored Glycine 0 C--N 1.351 1.383 0 N-CA-C 117.785 1.874 . . . . 0.0 117.785 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.94 -21.63 3.89 Favored 'Trans proline' 0 CA--C 1.517 -0.364 0 CA-C-N 122.042 2.921 . . . . 0.0 109.457 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.08 -36.05 82.76 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.508 1.523 . . . . 0.0 112.425 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.64 -46.66 86.62 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 125.944 1.697 . . . . 0.0 112.229 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -66.5 -31.98 73.06 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 120.516 -1.365 . . . . 0.0 113.024 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.8 m -66.56 -50.06 64.38 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 119.708 -1.87 . . . . 0.0 113.646 167.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.8 -41.32 60.2 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -81.19 -67.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.613 0 O-C-N 120.189 -1.57 . . . . 0.0 110.869 -176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -96.56 2.76 52.64 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.607 -1.308 . . . . 0.0 112.389 -166.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm 60.21 53.38 4.47 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.775 1.23 . . . . 0.0 112.575 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.29 -4.11 0.07 Allowed 'General case' 0 C--N 1.352 0.676 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -176.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.35 0.611 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 169.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.87 0.843 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.55 125.11 87.94 Favored Pre-proline 0 N--CA 1.449 -0.509 0 C-N-CA 124.534 1.134 . . . . 0.0 112.221 -177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -98.05 67.29 0.09 OUTLIER 'Trans proline' 0 CA--C 1.515 -0.427 0 CA-C-N 123.098 2.142 . . . . 0.0 107.862 -163.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.4 tt -60.03 -44.35 94.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.392 0 C-N-CA 125.41 1.484 . . . . 0.0 114.109 -172.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.03 -43.14 99.53 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 120.318 -1.489 . . . . 0.0 113.163 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.2 96.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 124.043 0.937 . . . . 0.0 112.554 174.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -62.52 -44.13 97.12 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.774 -1.204 . . . . 0.0 113.15 174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.68 -48.52 81.44 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.065 -1.647 . . . . 0.0 112.881 175.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.87 -49.66 36.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.0 9.66 36.46 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.276 -1.515 . . . . 0.0 112.725 -165.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -138.95 -27.14 0.83 Allowed 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 119.676 -1.89 . . . . 0.0 111.889 170.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -107.53 4.1 25.71 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.452 -1.405 . . . . 0.0 113.649 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.75 -55.44 6.21 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 118.625 2.21 . . . . 0.0 118.625 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -74.59 -26.71 11.54 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 CA-C-N 122.878 3.339 . . . . 0.0 111.432 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.9 tttt -63.84 -43.85 94.95 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.28 1.032 . . . . 0.0 111.522 172.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.6 -44.03 97.75 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.739 1.216 . . . . 0.0 112.698 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.049 0.939 . . . . 0.0 113.262 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.46 -17.22 21.68 Favored 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.76 -20.59 61.15 Favored 'General case' 0 C--N 1.356 0.888 0 O-C-N 118.947 -2.346 . . . . 0.0 113.609 -177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 38.5 t -63.02 -52.73 55.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 O-C-N 121.209 -0.932 . . . . 0.0 112.361 177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -146.38 14.62 1.27 Allowed 'General case' 0 C--N 1.349 0.567 0 O-C-N 119.57 -1.956 . . . . 0.0 112.606 -168.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 69.78 -25.29 0.15 Allowed 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.842 2.057 . . . . 0.0 115.317 168.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -112.56 126.77 55.71 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 169.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.446 -0.638 0 O-C-N 120.658 -1.276 . . . . 0.0 109.165 -172.509 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 p90 . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.843 0.83 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.11 119.9 74.69 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.433 1.093 . . . . 0.0 112.162 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -100.15 67.25 0.05 OUTLIER 'Trans proline' 0 CA--C 1.517 -0.336 0 CA-C-N 123.824 2.401 . . . . 0.0 108.924 -155.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.2 mm -59.66 -44.69 94.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.39 0 C-N-CA 125.653 1.581 . . . . 0.0 113.049 -175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.13 -43.41 98.46 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.78 -1.2 . . . . 0.0 113.002 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.89 -41.9 95.23 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.898 -1.126 . . . . 0.0 112.564 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 t -62.58 -42.61 99.66 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.85 -1.157 . . . . 0.0 112.963 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.81 -48.59 80.74 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.683 -1.26 . . . . 0.0 112.222 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.78 -48.71 52.81 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 175.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.5 5.25 31.34 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.266 -1.521 . . . . 0.0 114.282 -163.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.98 -30.51 0.96 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 120.61 -1.306 . . . . 0.0 110.781 168.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -99.25 -4.11 32.68 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.199 -1.563 . . . . 0.0 112.298 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.42 -55.18 8.06 Favored Glycine 0 C--N 1.351 1.403 0 N-CA-C 117.819 1.888 . . . . 0.0 117.819 175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -77.14 -23.37 10.47 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 CA-C-N 122.54 3.17 . . . . 0.0 110.43 179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.59 -38.43 90.99 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 124.434 1.094 . . . . 0.0 112.044 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.58 -45.77 90.88 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.391 1.076 . . . . 0.0 112.884 171.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -62.32 -45.72 91.97 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.354 1.073 . . . . 0.0 111.887 174.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.23 -38.99 93.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 120.52 -1.363 . . . . 0.0 114.507 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.265 3.0 pp -71.94 -41.84 67.32 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 119.272 -2.143 . . . . 0.0 114.327 172.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.45 -33.16 61.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 O-C-N 119.67 -1.894 . . . . 0.0 113.121 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -87.3 6.43 33.45 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.18 1.392 . . . . 0.0 111.119 175.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 mttm 65.67 51.01 1.51 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.581 1.952 . . . . 0.0 112.99 163.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -125.87 -36.24 2.41 Favored 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.685 0.794 . . . . 0.0 110.518 175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.35 0.588 0 O-C-N 120.514 -1.366 . . . . 0.0 110.65 177.649 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.44 -0.953 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -60.96 150.2 78.81 Favored Pre-proline 0 C--N 1.349 0.544 0 O-C-N 120.665 -1.272 . . . . 0.0 112.25 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.63 74.36 4.35 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.916 2.41 . . . . 0.0 111.914 -174.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -60.22 -43.69 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.621 0 C-N-CA 126.315 1.846 . . . . 0.0 114.168 -171.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.33 -45.07 94.88 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.513 -1.367 . . . . 0.0 113.882 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.33 89.43 Favored 'General case' 0 C--N 1.349 0.585 0 O-C-N 121.202 -0.936 . . . . 0.0 112.343 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -64.09 -40.97 97.39 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.724 -1.235 . . . . 0.0 113.427 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.09 -43.7 98.26 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 127.084 2.153 . . . . 0.0 112.76 177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.58 90.27 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.77 -1.206 . . . . 0.0 111.587 172.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.37 25.04 0.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 124.527 1.131 . . . . 0.0 113.794 173.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -128.49 -36.26 1.89 Allowed 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.331 -1.48 . . . . 0.0 109.8 159.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -97.22 -0.55 46.56 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.175 -1.578 . . . . 0.0 112.885 -168.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.91 -55.69 8.19 Favored Glycine 0 C--N 1.35 1.33 0 N-CA-C 117.127 1.611 . . . . 0.0 117.127 170.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -79.31 -22.28 8.38 Favored 'Trans proline' 0 CA--C 1.517 -0.36 0 CA-C-N 122.188 2.994 . . . . 0.0 110.495 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.92 -39.53 94.38 Favored 'General case' 0 C--N 1.349 0.556 0 C-N-CA 124.0 0.92 . . . . 0.0 112.206 174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -59.12 -47.41 85.39 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.984 1.314 . . . . 0.0 111.52 175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.05 -44.3 96.24 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.985 -1.072 . . . . 0.0 113.067 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 p -66.65 -43.34 84.88 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.305 -1.497 . . . . 0.0 114.773 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.352 0.4 OUTLIER -73.15 -42.46 62.78 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 119.922 -1.736 . . . . 0.0 114.022 177.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.78 -34.91 73.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.863 0 O-C-N 120.791 -1.193 . . . . 0.0 113.009 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.8 p -93.12 14.38 18.12 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.202 -1.561 . . . . 0.0 111.867 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? 65.42 44.39 3.14 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.95 1.7 . . . . 0.0 113.894 168.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -107.1 -25.45 11.56 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.518 -1.364 . . . . 0.0 110.983 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.348 0.516 0 O-C-N 120.562 -1.336 . . . . 0.0 110.008 175.024 . . . . . . . . 0 0 . 1 stop_ save_