data_6klm_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 6klm _Structure_validation_residue.Date_analyzed 2019-11-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.658 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.599 ' HB2' HG21 ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.645 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.645 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.553 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.601 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.761 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 23' ' ' LEU . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG13 ' OXT' ' A' ' 34' ' ' VAL . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.564 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.407 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 HG13 ' OXT' ' A' ' 34' ' ' VAL . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG12 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.583 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG13 ' OXT' ' A' ' 34' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.451 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' SER . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.52 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.417 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG13 ' OXT' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.559 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.544 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' N ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.499 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.56 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 31' ' ' VAL . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.581 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' OXT' ' A' ' 34' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.57 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.663 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.517 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.633 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.663 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.635 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 31' ' ' VAL . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.587 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.635 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 24' ' ' PRO . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.473 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.486 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.442 ' HG2' HG22 ' A' ' 31' ' ' VAL . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 24' ' ' PRO . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.619 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.619 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.433 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.555 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.519 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.555 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.456 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.51 HG13 ' OXT' ' A' ' 34' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' OE2' HG12 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.64 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.619 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.619 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.64 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.432 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.432 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.578 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.592 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG13 ' OXT' ' A' ' 34' ' ' VAL . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.599 HG21 ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.575 HD12 ' HB ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.658 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.59 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' HB2' HG21 ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' HB ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.602 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.604 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.63 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.645 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.645 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.553 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.761 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.601 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.601 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.761 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG21 ' HB3' ' A' ' 23' ' ' LEU . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG13 ' OXT' ' A' ' 34' ' ' VAL . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.564 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.53 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.407 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 HG13 ' OXT' ' A' ' 34' ' ' VAL . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.506 HD13 ' H ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.635 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.635 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG12 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.562 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.583 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.583 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.6 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG13 ' OXT' ' A' ' 34' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.583 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.451 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 33' ' ' SER . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.52 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.605 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.417 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG13 ' OXT' ' A' ' 34' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.559 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.544 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' N ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.499 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.579 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.579 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.572 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.56 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 34' ' ' VAL . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.575 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.532 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 31' ' ' VAL . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.581 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.581 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.492 HG13 ' OXT' ' A' ' 34' ' ' VAL . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.57 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.663 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.517 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.633 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.633 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.518 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.663 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.656 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.635 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HG2' HG23 ' A' ' 31' ' ' VAL . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.587 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.587 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.635 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' HG2' ' A' ' 24' ' ' PRO . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.473 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.486 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.442 ' HG2' HG22 ' A' ' 31' ' ' VAL . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.477 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 24' ' ' PRO . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.57 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.619 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.619 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.577 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.433 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.555 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.519 ' OG1' ' HD2' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.555 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.456 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.51 HG13 ' OXT' ' A' ' 34' ' ' VAL . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' OE2' HG12 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.64 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.619 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.619 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.64 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.559 HG12 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.432 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.436 HD13 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.432 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.578 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.594 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.592 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG13 ' OXT' ' A' ' 34' ' ' VAL . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.643 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.758 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.758 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 13' ' ' CYS . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.43 HD12 ' H ' ' A' ' 20' ' ' ILE . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.658 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.63 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.514 HG13 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.667 HG11 ' SG ' ' A' ' 13' ' ' CYS . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' HG11 ' A' ' 7' ' ' VAL . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 26' ' ' TRP . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.575 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 20' ' ' ILE . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.565 HG21 ' NH1' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.598 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.609 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' H ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.647 HG11 ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.647 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.571 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 7' ' ' VAL . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CG1' ' A' ' 7' ' ' VAL . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.71 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.539 HG21 ' NH1' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.71 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.631 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 7' ' ' VAL . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.569 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.561 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.425 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.41 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.559 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' OE2' HG13 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.687 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.687 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG13 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' A' ' 13' ' ' CYS . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 7' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.597 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.643 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.758 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.758 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 13' ' ' CYS . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.43 HD12 ' H ' ' A' ' 20' ' ' ILE . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.658 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.63 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG13 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.667 HG11 ' SG ' ' A' ' 13' ' ' CYS . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' HG11 ' A' ' 7' ' ' VAL . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 26' ' ' TRP . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.575 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 20' ' ' ILE . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.565 HG21 ' NH1' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.598 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.609 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' H ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG11 ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.647 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.571 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 7' ' ' VAL . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CG1' ' A' ' 7' ' ' VAL . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.71 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.539 HG21 ' NH1' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.71 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.631 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 7' ' ' VAL . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.569 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.561 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.425 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' OE2' HG13 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.687 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.687 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG13 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' A' ' 13' ' ' CYS . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 7' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.597 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.643 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.758 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.758 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 13' ' ' CYS . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.43 HD12 ' H ' ' A' ' 20' ' ' ILE . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.562 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.658 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.63 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.658 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.514 HG13 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.667 HG11 ' SG ' ' A' ' 13' ' ' CYS . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' HG11 ' A' ' 7' ' ' VAL . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 26' ' ' TRP . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.575 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 20' ' ' ILE . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.565 HG21 ' NH1' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.598 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.609 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' H ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.647 HG11 ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.647 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.571 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 7' ' ' VAL . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CG1' ' A' ' 7' ' ' VAL . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.71 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.539 HG21 ' NH1' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.71 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.631 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 7' ' ' VAL . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.569 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.561 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.425 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.41 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.559 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.558 ' OE2' HG13 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.687 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.687 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG13 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' A' ' 13' ' ' CYS . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 7' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.597 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.558 0.218 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.8 t -121.07 80.4 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' VAL . 52.6 p -63.83 -44.02 94.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.003 -0.998 . . . . 0.0 112.624 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.634 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 61.8 p -138.14 148.71 45.19 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.275 0.359 . . . . 0.0 111.179 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 120.23 -142.46 16.03 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.22 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.7 mm -100.18 147.48 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.693 0.282 . . . . 0.0 110.359 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.5 m -143.39 136.36 24.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.775 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -100.3 9.63 42.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.268 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.08 -157.15 0.74 Allowed 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 114.682 -1.144 . . . . 0.0 111.363 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.6 t -154.75 -38.78 0.09 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.715 0.806 . . . . 0.0 109.545 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -79.56 -18.15 52.38 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.856 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.25 -28.52 19.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.61 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.9 t -71.22 162.38 29.53 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.332 0.395 . . . . 0.0 110.494 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB2' ' OXT' ' A' ' 34' ' ' VAL . 3.8 m -77.05 4.62 9.75 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.701 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' OE2' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mt-10 -92.92 100.45 4.04 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.921 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.6 Cg_exo -76.75 111.95 3.35 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.518 2.145 . . . . 0.0 113.076 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 58.6 10.98 1.57 Allowed 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 59.3 tttt -134.69 80.94 1.87 Allowed 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.149 0.499 . . . . 0.0 110.755 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -114.36 153.2 30.22 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.796 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.8 mt -100.61 154.2 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.6 mp -91.6 166.06 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.659 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 48.1 mtt -49.58 122.25 6.1 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.266 1.026 . . . . 0.0 112.38 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.63 -52.33 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.963 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' ' 29' ' ' ARG . 14.7 Cg_exo -68.26 171.59 12.51 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.054 1.836 . . . . 0.0 113.946 -177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.1 p 54.67 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.616 1.166 . . . . 0.0 112.79 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -47.76 98.33 Favored Pre-proline 0 N--CA 1.481 1.114 0 CA-C-O 118.813 -0.613 . . . . 0.0 112.008 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -86.43 165.77 9.33 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.252 1.968 . . . . 0.0 111.918 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 2.7 Cg_exo -75.95 116.02 4.3 Favored 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 122.217 1.944 . . . . 0.0 112.31 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.659 ' O ' ' HA ' ' A' ' 22' ' ' MET . 85.0 mtt180 -142.57 142.1 32.12 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.331 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 72.6 m-85 -71.65 171.05 12.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.248 0.619 . . . . 0.0 110.979 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -138.9 143.72 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 120.883 0.373 . . . . 0.0 111.435 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.634 ' O ' ' HA ' ' A' ' 4' ' ' SER . 26.8 m -126.78 130.91 51.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.157 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.3 m -126.21 15.32 7.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.204 0.526 . . . . 0.0 112.35 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.591 ' OXT' ' HB2' ' A' ' 14' ' ' CYS . 3.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 26.4 p . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 8.8 t -130.68 84.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 34' ' ' VAL . 49.6 p -64.73 -47.01 79.81 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.656 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 19.6 m -145.1 154.22 42.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.303 0.377 . . . . 0.0 111.045 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.37 -159.7 17.98 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.469 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.7 mm -101.52 146.89 9.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.327 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.629 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 8.2 m -139.99 141.64 33.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.095 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -90.21 10.4 24.76 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.782 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.55 -158.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.007 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -158.96 -35.84 0.06 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.686 0.794 . . . . 0.0 109.415 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -83.84 -21.77 31.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.871 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -82.33 -28.73 31.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.527 178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.8 t -75.69 163.95 26.77 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.239 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 93.2 m -86.64 27.97 0.92 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.213 0.53 . . . . 0.0 111.6 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 4.6 mm-40 -120.45 87.97 41.79 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.503 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.69 -36.45 0.61 Allowed 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 122.807 2.338 . . . . 0.0 113.526 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -109.98 -39.55 5.02 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 59.3 tttt -89.44 35.94 0.83 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.138 0.494 . . . . 0.0 111.503 -179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.6 t -92.58 126.61 37.74 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.249 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.426 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 1.9 mp -109.01 153.4 10.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 2.7 mm -88.13 168.21 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.522 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.2 mtt -52.27 113.34 1.01 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.683 0.793 . . . . 0.0 112.105 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.19 -53.22 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.921 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.745 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.19 170.61 3.82 Favored 'Trans proline' 0 C--N 1.382 2.323 0 C-N-CA 121.911 1.74 . . . . 0.0 113.737 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 p 54.49 170.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.399 1.08 . . . . 0.0 112.605 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.75 -48.1 97.48 Favored Pre-proline 0 N--CA 1.481 1.104 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.003 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -87.76 166.93 7.28 Favored 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.37 2.046 . . . . 0.0 112.054 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -74.75 118.87 5.46 Favored 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 122.304 2.002 . . . . 0.0 112.206 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.3 mtt180 -144.03 134.63 24.87 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.614 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.629 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 56.3 m-85 -72.55 164.76 25.92 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.284 0.634 . . . . 0.0 110.689 178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.33 138.08 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.691 0.281 . . . . 0.0 111.381 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' SER . 69.7 m -112.47 121.37 44.62 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.014 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.1 m -101.16 17.62 21.99 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.516 ' HB ' ' O ' ' A' ' 3' ' ' SER . 9.8 p . . . . . 0 N--CA 1.488 1.434 0 C-N-CA 125.179 1.391 . . . . 0.0 113.242 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.031 -0.033 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.643 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.9 t -137.4 88.16 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 m -75.49 -42.93 51.66 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.783 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.9 p -134.92 130.85 36.53 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.141 0.275 . . . . 0.0 111.648 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 133.19 -174.03 20.79 Favored Glycine 0 C--N 1.339 0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.992 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.87 145.84 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-O 120.846 0.355 . . . . 0.0 110.185 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.559 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.1 m -132.9 141.34 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.81 11.6 26.48 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.704 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.45 -161.59 1.17 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.977 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 t -155.28 -40.45 0.09 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.244 0.618 . . . . 0.0 109.974 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m -87.11 -16.12 36.44 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.116 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -87.26 -28.34 22.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.999 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.643 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 7.2 t -76.29 171.98 13.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 123.429 0.456 . . . . 0.0 110.605 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 31.8 m -77.11 0.47 21.45 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 4.5 mm-40 -108.94 85.66 3.32 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.909 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 6.0 Cg_exo -79.87 131.24 8.97 Favored 'Trans proline' 0 C--N 1.372 1.767 0 C-N-CA 122.867 2.378 . . . . 0.0 112.736 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.42 4.51 2.24 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.963 0.905 . . . . 0.0 113.051 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 97.1 mttt -138.43 85.22 2.07 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.349 0.595 . . . . 0.0 110.438 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.3 m -124.25 132.66 53.6 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.94 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -96.72 154.21 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.674 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.611 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.1 mp -101.54 106.97 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.492 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.758 ' SD ' ' HA ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER 49.23 149.63 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 125.571 1.548 . . . . 0.0 114.446 179.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.89 -59.33 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.673 -0.68 . . . . 0.0 111.488 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -89.15 20.32 1.12 Allowed 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 121.556 1.504 . . . . 0.0 113.746 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.528 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.7 p -147.01 164.54 32.68 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.233 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.591 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -85.57 -42.54 0.63 Allowed Pre-proline 0 CA--C 1.551 1.001 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -179.348 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.591 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.3 Cg_exo -73.51 168.12 25.56 Favored 'Trans proline' 0 C--N 1.383 2.348 0 C-N-CA 122.264 1.976 . . . . 0.0 112.694 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.758 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 18.3 Cg_exo -67.29 124.98 12.79 Favored 'Trans proline' 0 C--N 1.379 2.135 0 C-N-CA 122.588 2.192 . . . . 0.0 113.553 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.9 mtt180 -143.89 -158.41 0.87 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.793 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -143.28 149.27 37.62 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.52 0.328 . . . . 0.0 110.818 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.55 148.82 33.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.354 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.3 m -127.97 130.99 49.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.453 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.1 m -125.61 17.71 8.11 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.096 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 125.085 1.354 . . . . 0.0 113.121 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.505 0.193 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.5 t -103.18 72.59 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.563 0.697 . . . . 0.0 109.247 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -68.32 -36.93 80.04 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.938 -1.028 . . . . 0.0 112.519 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.1 p -132.29 133.45 44.08 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.265 0.353 . . . . 0.0 111.273 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.74 -173.17 19.81 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.595 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.65 145.31 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.908 0.385 . . . . 0.0 110.31 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 13' ' ' CYS . 7.6 m -140.38 143.08 29.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.134 179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -90.28 12.1 19.22 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.036 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -141.08 -168.78 2.69 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.163 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 3.4 m -146.69 -41.81 0.19 Allowed 'General case' 0 C--N 1.346 0.413 0 C-N-CA 123.306 0.643 . . . . 0.0 110.128 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.0 -23.31 55.24 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.043 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -88.73 -26.74 21.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -84.39 175.52 9.3 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.619 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.95 -15.88 63.6 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 mm-40 -113.06 93.0 23.18 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.317 0.386 . . . . 0.0 110.635 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 2.9 Cg_exo -76.24 -39.39 0.84 Allowed 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.76 2.307 . . . . 0.0 113.437 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -120.72 -27.8 5.0 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.368 0.418 . . . . 0.0 111.758 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.16 23.57 2.41 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 123.291 0.369 . . . . 0.0 111.729 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 28.2 p -91.49 136.03 33.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.036 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.43 HD12 ' H ' ' A' ' 20' ' ' ILE . 1.6 mp -93.23 153.71 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.901 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -95.58 91.24 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.62 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.55 133.34 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.461 1.505 . . . . 0.0 114.364 179.444 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -58.39 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.816 0 CA-C-O 118.636 -0.697 . . . . 0.0 111.774 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.2 23.28 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.144 0 C-N-CA 121.709 1.606 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.5 p -147.37 141.94 26.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.251 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.77 -48.7 11.36 Favored Pre-proline 0 N--CA 1.48 1.032 0 CA-C-O 118.615 -0.707 . . . . 0.0 112.867 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -71.29 167.95 24.78 Favored 'Trans proline' 0 C--N 1.383 2.389 0 C-N-CA 122.257 1.972 . . . . 0.0 112.614 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 119.12 6.16 Favored 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.642 2.228 . . . . 0.0 113.505 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' H ' ' HB3' ' A' ' 22' ' ' MET . 38.5 mtt180 -148.43 -167.54 2.84 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.735 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.5 m-85 -153.8 155.2 35.38 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.19 0.596 . . . . 0.0 110.581 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.8 t -130.13 119.99 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.849 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.1 m -101.21 132.4 46.73 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.594 179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.1 t -130.6 14.02 5.43 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.476 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.486 1.358 0 C-N-CA 125.112 1.365 . . . . 0.0 113.011 -179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.413 0.149 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -81.34 63.68 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.674 0.75 . . . . 0.0 109.946 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -56.51 -38.87 72.41 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.983 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.0 p -132.79 143.39 49.54 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.219 0.324 . . . . 0.0 111.245 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 123.12 -167.82 15.36 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.615 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.87 143.65 12.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.397 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 10.1 m -139.75 141.35 34.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.775 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -91.21 14.43 14.34 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.864 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.72 -163.36 1.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.289 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.9 t -151.25 -38.93 0.12 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.586 0.755 . . . . 0.0 109.6 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -78.4 -21.37 49.4 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.881 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -87.23 -29.68 21.51 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.466 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.49 169.84 16.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.207 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.562 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.8 m -71.72 -11.74 60.98 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.2 tt0 -108.34 85.86 3.05 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.012 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 4.6 Cg_exo -81.26 -25.96 3.64 Favored 'Trans proline' 0 C--N 1.37 1.682 0 C-N-CA 122.947 2.431 . . . . 0.0 114.476 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -118.46 -39.02 3.06 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -86.67 17.96 3.65 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.0 p -78.84 132.62 36.91 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.307 0.243 . . . . 0.0 111.539 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -113.78 164.78 9.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.182 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -69.56 174.94 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.117 0.567 . . . . 0.0 110.871 -179.332 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.658 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.92 153.22 4.95 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.63 0.772 . . . . 0.0 112.794 -179.32 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.56 -57.78 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.845 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.423 179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -85.58 22.79 0.9 Allowed 'Trans proline' 0 C--N 1.378 2.093 0 C-N-CA 121.876 1.717 . . . . 0.0 113.454 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -146.86 158.42 43.91 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.09 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.63 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.1 -45.45 0.75 Allowed Pre-proline 0 CA--C 1.551 0.994 0 CA-C-O 118.296 -0.859 . . . . 0.0 113.219 -179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.63 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 8.5 Cg_exo -74.77 163.86 34.81 Favored 'Trans proline' 0 C--N 1.381 2.289 0 C-N-CA 122.275 1.983 . . . . 0.0 112.508 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.03 113.77 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.655 2.237 . . . . 0.0 113.608 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.658 ' H ' ' HB3' ' A' ' 22' ' ' MET . 37.1 mmt180 -140.5 -161.23 1.17 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.18 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.5 m-85 -153.3 158.92 42.32 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.328 0.651 . . . . 0.0 110.379 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 t -134.09 118.81 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.4 m -96.51 103.98 15.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.702 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 64.5 m -95.48 18.11 13.33 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.356 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG13 ' OE2' ' A' ' 15' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.512 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.37 0.129 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -125.4 83.75 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.437 0.637 . . . . 0.0 109.548 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -72.58 -42.19 64.87 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.074 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -137.66 133.1 33.89 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.237 0.335 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.76 -157.99 23.94 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.622 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.8 mm -100.01 149.68 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.798 0.333 . . . . 0.0 110.461 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.667 HG11 ' SG ' ' A' ' 13' ' ' CYS . 4.4 m -145.45 142.55 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.38 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -90.92 8.82 33.19 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.662 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.43 -163.91 1.88 Allowed 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.102 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.0 t -149.13 -40.63 0.15 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.445 0.698 . . . . 0.0 109.832 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 p -72.78 -23.18 60.77 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.862 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -90.98 -22.41 20.83 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' SG ' HG11 ' A' ' 7' ' ' VAL . 11.8 t -78.46 172.38 13.72 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.053 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.42 -12.36 61.37 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -94.76 129.41 36.22 Favored Pre-proline 0 CA--C 1.546 0.819 0 CA-C-O 119.095 -0.479 . . . . 0.0 110.282 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.69 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.442 2.095 . . . . 0.0 113.576 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -138.76 -4.28 1.59 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -86.69 20.18 2.63 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.824 0.345 . . . . 0.0 111.825 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.1 p -88.97 144.92 25.83 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.462 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mp -98.93 152.3 4.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.232 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' CE2' ' A' ' 30' ' ' TYR . 4.5 mp -101.64 96.18 4.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.529 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.604 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 36.3 mtt 54.95 113.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.212 1.005 . . . . 0.0 112.48 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.97 -54.2 0.02 OUTLIER Pre-proline 0 CA--C 1.549 0.914 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.5 166.93 27.62 Favored 'Trans proline' 0 C--N 1.378 2.104 0 C-N-CA 121.869 1.713 . . . . 0.0 113.62 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 26' ' ' TRP . 0.7 OUTLIER 62.5 167.78 0.12 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.687 0.795 . . . . 0.0 111.607 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.575 ' CD2' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -61.4 -49.78 86.02 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.036 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 26' ' ' TRP . 5.0 Cg_exo -80.36 166.54 20.15 Favored 'Trans proline' 0 C--N 1.378 2.101 0 C-N-CA 122.182 1.922 . . . . 0.0 111.644 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 5.1 Cg_exo -77.43 117.04 4.22 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.303 2.002 . . . . 0.0 112.527 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.2 mtt180 -145.43 139.51 26.94 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.674 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.557 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 73.7 m-85 -72.09 167.12 20.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.643 0.777 . . . . 0.0 111.818 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.26 146.8 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.2 m -124.75 138.32 54.29 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.294 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.3 m -125.45 16.01 8.26 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.42 0.45 . . . . 0.0 112.185 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.488 1.435 0 C-N-CA 125.119 1.368 . . . . 0.0 113.1 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.544 0.211 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.45 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.7 t -127.6 82.98 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.4 m -75.41 -39.43 58.99 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.379 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -134.71 130.12 35.78 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.255 0.347 . . . . 0.0 111.172 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.25 -174.06 21.09 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.725 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -95.38 145.01 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.941 0.4 . . . . 0.0 110.211 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.6 m -135.74 145.99 30.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.223 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.52 13.03 20.94 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 109.882 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.96 -161.56 1.2 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.159 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.1 m -154.4 -38.95 0.09 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.502 0.721 . . . . 0.0 109.987 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 m -83.46 -21.1 32.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.057 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -84.78 -26.45 27.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.757 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 4.9 t -76.81 165.79 24.24 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.2 m -85.13 24.96 1.03 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -120.66 84.62 37.33 Favored Pre-proline 0 CA--C 1.544 0.728 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.657 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -78.19 133.91 12.51 Favored 'Trans proline' 0 C--N 1.372 1.785 0 C-N-CA 122.869 2.379 . . . . 0.0 112.846 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 65.08 3.25 2.09 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 124.03 0.932 . . . . 0.0 113.175 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -134.72 82.06 1.94 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.329 0.585 . . . . 0.0 110.66 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -136.96 117.45 13.77 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.497 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 ' H ' HG13 ' A' ' 20' ' ' ILE . 2.3 pp -104.34 158.6 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.266 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -97.44 108.52 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.427 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.588 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.36 138.56 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 125.614 1.566 . . . . 0.0 114.405 179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.28 -58.5 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.795 0 CA-C-O 118.669 -0.682 . . . . 0.0 111.413 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -88.34 20.04 1.22 Allowed 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 121.668 1.578 . . . . 0.0 113.525 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.565 HG21 ' NH1' ' A' ' 29' ' ' ARG . 19.7 p -146.7 164.3 33.15 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.232 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.598 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.77 -44.64 0.7 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.598 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.9 Cg_exo -75.04 167.33 27.25 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.218 1.946 . . . . 0.0 112.623 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.22 123.64 12.51 Favored 'Trans proline' 0 C--N 1.378 2.125 0 C-N-CA 122.532 2.155 . . . . 0.0 113.442 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' HB3' ' A' ' 22' ' ' MET . 96.8 mtt180 -145.56 -160.25 1.12 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.105 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 95.3 m-85 -157.04 148.56 22.29 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.444 0.698 . . . . 0.0 110.175 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 t -132.11 144.48 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 123.251 0.344 . . . . 0.0 110.111 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.93 137.31 54.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.527 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -130.21 17.81 5.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.036 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 125.083 1.353 . . . . 0.0 112.911 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.45 0.167 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.65 85.07 0.9 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 m -70.01 -42.2 73.33 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.549 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 43.7 p -132.58 148.51 52.37 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.177 0.298 . . . . 0.0 111.598 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.84 -176.05 16.25 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.82 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.66 145.0 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.769 0.319 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.6 m -140.45 147.58 23.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.336 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -90.85 15.21 11.71 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.003 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.45 -172.47 2.81 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.301 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.7 t -148.62 -40.52 0.16 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.232 0.613 . . . . 0.0 110.01 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 m -89.23 -17.11 29.72 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.062 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -88.6 -26.95 21.66 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 t -74.69 164.97 25.98 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.391 0.432 . . . . 0.0 110.754 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.1 m -74.79 -1.93 24.33 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 9.8 tt0 -110.65 81.91 2.67 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 122.426 0.29 . . . . 0.0 110.506 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.7 Cg_endo -84.21 -35.2 0.21 Allowed 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.942 2.428 . . . . 0.0 113.631 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.0 -45.92 8.86 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.888 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -95.31 39.93 1.11 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.124 0.488 . . . . 0.0 110.695 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 45.8 t -81.23 119.15 23.25 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.397 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -109.94 152.81 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.814 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.8 mp -100.37 94.78 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.174 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.609 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.52 134.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 125.359 1.464 . . . . 0.0 114.312 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.88 -58.38 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.8 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.42 24.02 0.78 Allowed 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 121.765 1.643 . . . . 0.0 113.481 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -147.28 144.33 28.74 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.319 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -48.78 7.35 Favored Pre-proline 0 N--CA 1.48 1.067 0 CA-C-O 118.546 -0.74 . . . . 0.0 112.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.71 168.0 25.67 Favored 'Trans proline' 0 C--N 1.382 2.34 0 C-N-CA 122.35 2.033 . . . . 0.0 112.653 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -58.75 119.77 7.24 Favored 'Trans proline' 0 C--N 1.378 2.114 0 C-N-CA 122.659 2.239 . . . . 0.0 113.516 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' H ' ' HB3' ' A' ' 22' ' ' MET . 40.4 mtt180 -149.01 -167.37 2.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 91.0 m-85 -153.56 158.24 40.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.148 0.579 . . . . 0.0 110.401 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -133.37 140.7 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 120.874 0.369 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' O ' ' HA ' ' A' ' 4' ' ' SER . 95.6 m -133.2 120.7 21.49 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.169 178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.7 m -125.89 19.33 7.81 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.242 0.544 . . . . 0.0 112.413 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.765 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.532 0.206 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 6.8 t -128.08 83.52 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.0 m -75.61 -39.42 57.94 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.174 -0.921 . . . . 0.0 112.451 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 51.5 m -135.69 133.08 37.72 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.233 0.333 . . . . 0.0 111.291 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 130.95 -170.33 21.31 Favored Glycine 0 C--N 1.338 0.672 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.01 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.1 mm -92.75 151.98 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 122.638 0.375 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 4.4 m -142.18 141.56 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.456 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.78 9.99 27.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.826 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.18 -161.86 1.21 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.871 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -155.11 -38.25 0.09 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.345 0.658 . . . . 0.0 109.863 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -86.59 -19.56 29.21 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.912 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -85.12 -27.19 26.41 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 2' ' ' VAL . 5.2 t -74.35 165.06 25.82 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.42 0.45 . . . . 0.0 110.373 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.0 m -84.42 27.04 0.73 Allowed 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.148 0.499 . . . . 0.0 111.926 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 5.3 mm-40 -124.33 93.05 47.26 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.55 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.97 -37.09 0.47 Allowed 'Trans proline' 0 C--N 1.372 1.77 0 C-N-CA 122.688 2.258 . . . . 0.0 113.589 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -110.32 -37.33 5.56 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 31.7 tttp -88.7 34.0 0.77 Allowed 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.083 0.468 . . . . 0.0 111.496 -179.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 52.6 t -98.05 125.98 43.28 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.524 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.68 152.63 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 4.3 mp -105.86 94.09 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 50.8 mtt 54.82 108.88 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.213 1.005 . . . . 0.0 112.203 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.76 -57.35 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.85 179.32 5.41 Favored 'Trans proline' 0 C--N 1.38 2.2 0 C-N-CA 121.887 1.725 . . . . 0.0 113.466 -177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p 54.67 168.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.545 1.138 . . . . 0.0 112.711 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -48.36 95.78 Favored Pre-proline 0 N--CA 1.482 1.131 0 CA-C-O 118.742 -0.646 . . . . 0.0 112.12 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -86.66 165.7 9.03 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 122.351 2.034 . . . . 0.0 112.143 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 6.0 Cg_exo -78.33 112.94 3.28 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.367 2.045 . . . . 0.0 112.395 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' O ' ' HA ' ' A' ' 22' ' ' MET . 95.5 mtt180 -145.15 143.69 30.49 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.373 -179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 46.9 m-85 -71.38 157.6 37.79 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.154 0.582 . . . . 0.0 110.369 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -146.02 134.63 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 120.755 0.312 . . . . 0.0 111.71 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 4' ' ' SER . 66.3 m -115.98 131.22 57.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.099 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.2 m -126.72 15.12 7.53 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.487 1.383 0 C-N-CA 125.033 1.333 . . . . 0.0 113.037 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.329 0.109 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.2 t -80.82 64.7 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.881 0.848 . . . . 0.0 110.03 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 m -61.34 -37.75 84.43 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.584 -1.189 . . . . 0.0 113.039 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.2 m -135.44 126.11 27.15 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.133 0.271 . . . . 0.0 111.267 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.17 -162.29 25.66 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.699 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.1 mm -95.23 151.23 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG11 ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -143.25 140.52 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.314 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -94.5 10.6 33.96 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.39 178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.01 -161.27 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.203 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -151.55 -38.25 0.12 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.558 0.743 . . . . 0.0 109.6 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.8 m -77.91 -23.1 48.78 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.985 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -87.42 -27.18 22.89 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.555 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.647 ' SG ' HG11 ' A' ' 7' ' ' VAL . 13.9 t -80.57 173.52 12.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.425 178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 4.1 m -68.89 -19.51 64.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.53 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 5.9 mm-40 -103.77 92.07 4.0 Favored Pre-proline 0 CA--C 1.545 0.753 0 O-C-N 123.504 0.503 . . . . 0.0 110.304 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -35.18 4.73 Favored 'Trans proline' 0 C--N 1.373 1.844 0 C-N-CA 122.755 2.303 . . . . 0.0 113.447 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -126.12 -26.12 3.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.682 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HB3' ' OE2' ' A' ' 15' ' ' GLU . 7.2 tmtt? -92.81 27.0 2.51 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 123.357 0.411 . . . . 0.0 111.301 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 31.1 p -87.84 148.37 24.69 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.829 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 31' ' ' VAL . 2.0 mt -97.23 153.1 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 123.418 0.449 . . . . 0.0 110.086 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 21' ' ' ILE . 1.1 mp -91.25 162.45 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.153 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.541 ' HA ' ' O ' ' A' ' 29' ' ' ARG . 61.2 mtm -53.7 105.06 0.12 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.192 0.597 . . . . 0.0 111.311 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.0 -53.52 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.666 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -58.34 166.52 5.89 Favored 'Trans proline' 0 C--N 1.382 2.293 0 C-N-CA 121.954 1.769 . . . . 0.0 113.506 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.2 p 55.23 175.53 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.122 0.969 . . . . 0.0 112.29 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.571 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -65.62 -47.26 67.6 Favored Pre-proline 0 N--CA 1.479 1.001 0 CA-C-O 118.608 -0.71 . . . . 0.0 112.46 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.571 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.1 Cg_endo -85.42 130.24 3.85 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.316 2.011 . . . . 0.0 112.234 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 109.75 0.61 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.358 2.039 . . . . 0.0 112.655 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.541 ' O ' ' HA ' ' A' ' 22' ' ' MET . 97.0 mtt180 -146.16 148.01 32.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.284 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 92.8 m-85 -73.52 155.16 39.47 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.279 0.631 . . . . 0.0 110.957 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' ILE . 58.7 t -138.45 129.01 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' SG ' HG21 ' A' ' 7' ' ' VAL . 36.0 m -99.27 126.54 45.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.725 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -99.42 14.86 28.3 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.918 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.111 1.364 . . . . 0.0 113.188 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 111.05 0.019 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.402 HG11 ' CG1' ' A' ' 7' ' ' VAL . 25.5 t -140.48 90.99 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -61.7 -52.76 62.98 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.437 -0.801 . . . . 0.0 112.813 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 34.8 m -139.6 155.71 47.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.638 0.256 . . . . 0.0 111.525 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.6 -176.9 16.38 Favored Glycine 0 C--N 1.339 0.727 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.03 143.69 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 120.84 0.352 . . . . 0.0 110.145 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.8 m -136.85 148.46 26.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.382 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -92.02 15.55 13.06 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.657 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.54 -168.53 2.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.188 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.4 t -153.37 -41.88 0.1 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.148 0.579 . . . . 0.0 109.973 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -89.68 -13.97 35.81 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -87.32 -29.56 21.49 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.069 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -75.26 165.79 24.64 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.365 0.416 . . . . 0.0 110.808 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 9.8 m -76.48 -0.38 22.79 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' CYS . 19.2 tt0 -109.03 84.94 2.92 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.276 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -85.03 -34.32 0.2 Allowed 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.875 2.383 . . . . 0.0 113.864 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -91.72 -44.31 9.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 tttt -91.02 33.67 0.94 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.072 0.463 . . . . 0.0 111.158 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 43.4 t -89.16 122.45 32.47 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.284 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 pp -122.21 159.22 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.652 HG22 ' SD ' ' A' ' 22' ' ' MET . 1.0 OUTLIER -97.12 102.43 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.357 -179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.71 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.41 133.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 125.475 1.51 . . . . 0.0 114.001 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -58.46 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.852 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.87 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -86.51 22.05 0.99 Allowed 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.79 1.66 . . . . 0.0 113.443 -178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.539 HG21 ' NH1' ' A' ' 29' ' ' ARG . 14.4 p -148.41 158.86 44.37 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.196 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.618 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -85.17 -45.14 0.66 Allowed Pre-proline 0 CA--C 1.552 1.033 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.618 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 10.7 Cg_exo -73.91 168.32 25.07 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.309 2.006 . . . . 0.0 112.507 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HA ' ' SD ' ' A' ' 22' ' ' MET . 34.8 Cg_exo -58.77 121.15 9.47 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 122.602 2.201 . . . . 0.0 113.561 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.71 ' H ' ' HB3' ' A' ' 22' ' ' MET . 90.1 mtt180 -148.61 -166.96 2.69 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.344 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 77.8 m-85 -156.5 154.36 30.22 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.37 0.668 . . . . 0.0 110.438 -179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -134.31 144.75 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.481 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 4' ' ' SER . 93.6 m -130.79 106.88 8.74 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.589 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.5 m -101.89 20.85 15.65 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.217 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.032 -0.985 . . . . 0.0 112.019 -179.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.542 0.21 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.14 80.79 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 m -82.7 -33.71 27.53 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.287 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.4 p -131.77 126.62 34.86 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.361 0.413 . . . . 0.0 111.277 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.22 -167.9 22.77 Favored Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.95 153.81 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 122.519 0.327 . . . . 0.0 110.178 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.631 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.8 m -140.68 141.21 32.56 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.201 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -93.63 7.93 42.8 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.824 178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.96 -157.58 0.81 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.138 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 -35.66 0.09 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.741 0.816 . . . . 0.0 109.733 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.7 p -77.79 -23.21 49.21 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.694 178.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -85.09 -27.67 26.14 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.334 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.7 t -78.29 165.93 23.29 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.314 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -80.96 21.42 0.7 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 112.016 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 32' ' ' CYS . 31.7 mt-10 -129.1 98.85 22.73 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.369 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.8 -39.79 4.23 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 122.639 2.226 . . . . 0.0 113.242 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -133.7 -4.02 2.9 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.351 0.407 . . . . 0.0 111.584 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -90.21 -0.11 57.46 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.6 p -90.48 136.36 33.11 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.181 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.4 pp -98.79 158.2 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 123.544 0.527 . . . . 0.0 110.709 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -85.05 161.59 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.539 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 70.7 mtm -43.6 109.31 0.14 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.169 0.987 . . . . 0.0 112.056 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.8 -55.21 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.578 -179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -60.65 173.38 2.18 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 121.926 1.751 . . . . 0.0 113.313 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p 55.22 176.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.081 0.952 . . . . 0.0 112.256 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.579 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.59 -48.26 55.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.457 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 4.2 Cg_endo -87.9 164.62 7.42 Favored 'Trans proline' 0 C--N 1.375 1.959 0 C-N-CA 122.226 1.951 . . . . 0.0 112.263 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.553 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 4.4 Cg_exo -77.45 115.2 3.86 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.377 2.051 . . . . 0.0 112.143 179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.2 mtt180 -149.37 139.0 21.71 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.956 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 74.5 m-85 -76.18 155.79 34.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.405 0.682 . . . . 0.0 109.621 177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.05 126.77 42.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-O 120.792 0.329 . . . . 0.0 110.775 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 20.4 m -101.46 130.24 47.66 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.944 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -130.78 16.1 5.28 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.022 0.439 . . . . 0.0 111.909 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 125.005 1.322 . . . . 0.0 112.99 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.644 0.259 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.1 t -127.68 82.41 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -76.56 -39.73 51.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.367 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -137.42 123.5 20.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.32 0.387 . . . . 0.0 111.184 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.04 -164.6 27.16 Favored Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.731 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.18 152.5 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 122.426 0.29 . . . . 0.0 110.225 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.639 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 11.5 m -140.98 141.81 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.289 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -93.05 7.22 45.06 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.74 -157.2 0.78 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.057 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.1 t -152.58 -37.07 0.11 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.722 0.809 . . . . 0.0 109.458 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.8 t -73.02 -24.15 60.7 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.466 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.53 -26.72 24.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.155 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.3 t -81.26 168.57 18.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.451 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 54.5 m -83.99 24.67 0.89 Allowed 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 120.96 0.409 . . . . 0.0 112.083 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -121.81 105.35 38.1 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.188 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.81 -47.12 0.65 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.562 2.175 . . . . 0.0 113.59 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -137.01 -6.38 1.86 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -89.46 14.42 11.4 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.1 p -91.73 131.73 36.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.893 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 pt -98.54 157.79 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 O-C-N 123.366 0.416 . . . . 0.0 110.819 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.583 ' HA ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 mp -84.89 163.83 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.839 -178.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 39.4 mtt -46.99 107.5 0.11 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.863 0.865 . . . . 0.0 111.79 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.26 -54.69 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.528 -0.748 . . . . 0.0 112.551 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -59.79 172.89 1.93 Allowed 'Trans proline' 0 C--N 1.381 2.284 0 C-N-CA 121.98 1.787 . . . . 0.0 113.361 -178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.0 p 55.42 177.27 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.128 0.971 . . . . 0.0 112.189 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -66.42 -48.44 56.31 Favored Pre-proline 0 N--CA 1.478 0.963 0 CA-C-O 118.574 -0.727 . . . . 0.0 112.531 -179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 5.2 Cg_endo -88.27 164.73 6.88 Favored 'Trans proline' 0 C--N 1.375 1.927 0 C-N-CA 122.27 1.98 . . . . 0.0 112.38 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.7 Cg_exo -77.03 114.4 3.8 Favored 'Trans proline' 0 C--N 1.374 1.897 0 C-N-CA 122.396 2.064 . . . . 0.0 112.102 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 22' ' ' MET . 96.7 mtt180 -148.62 138.94 22.5 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.66 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 68.6 m-85 -75.06 156.89 35.65 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.346 0.658 . . . . 0.0 110.268 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -138.76 129.96 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 7' ' ' VAL . 53.0 m -95.96 130.54 42.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.472 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -104.14 18.31 22.34 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.259 -179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.456 0 C-N-CA 125.167 1.387 . . . . 0.0 113.19 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 25.5 p . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 110.662 -0.125 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 12.5 t -133.27 84.14 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -81.86 -37.07 27.5 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.541 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -135.17 133.29 38.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.249 0.343 . . . . 0.0 111.532 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 129.52 -179.95 16.4 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.792 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -88.92 147.58 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.806 0.336 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.569 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 7.0 m -136.68 140.29 43.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.519 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -97.12 14.16 26.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.313 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -137.85 -158.61 0.88 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.36 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -159.02 -39.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.714 0.806 . . . . 0.0 109.829 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -79.93 -17.06 54.0 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.874 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -86.82 -29.66 22.08 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.1 t -79.38 160.08 26.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.509 0.506 . . . . 0.0 110.496 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 67.0 m -87.53 26.71 1.21 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.822 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' OE2' ' HB2' ' A' ' 33' ' ' SER . 2.9 mm-40 -113.87 91.03 20.53 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.925 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.02 129.58 10.68 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.762 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.8 25.3 10.15 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.828 0.851 . . . . 0.0 112.68 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -134.93 83.21 2.01 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.376 0.607 . . . . 0.0 110.604 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -132.19 128.43 37.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.138 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.3 pp -126.87 158.41 37.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.734 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.9 mp -95.62 103.02 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.569 ' HB3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 48.64 157.99 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 125.512 1.525 . . . . 0.0 114.229 179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.18 -58.75 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.786 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.211 178.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.94 19.57 1.27 Allowed 'Trans proline' 0 C--N 1.377 2.059 0 C-N-CA 121.689 1.593 . . . . 0.0 113.604 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.561 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.4 p -147.06 165.92 28.45 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.232 -179.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.602 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -84.32 -44.48 0.74 Allowed Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -179.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.602 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 7.7 Cg_exo -75.25 166.2 29.39 Favored 'Trans proline' 0 C--N 1.383 2.36 0 C-N-CA 122.158 1.905 . . . . 0.0 112.6 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.9 125.3 14.49 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 122.633 2.222 . . . . 0.0 113.457 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.569 ' N ' ' HB3' ' A' ' 22' ' ' MET . 97.4 mtt180 -144.51 -159.58 1.01 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.173 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.569 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 96.6 m-85 -153.6 145.74 23.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.239 0.616 . . . . 0.0 109.948 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.2 t -131.0 132.66 63.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 O-C-N 123.266 0.354 . . . . 0.0 110.06 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.9 m -96.48 125.37 40.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.551 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.425 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 64.1 m -110.58 19.27 18.87 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.183 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.486 1.375 0 C-N-CA 125.1 1.36 . . . . 0.0 112.978 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 24.6 p . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 110.686 -0.116 . . . . 0.0 110.686 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 11.6 t -132.63 84.63 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 p -82.38 -36.1 27.09 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.725 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.5 p -132.31 134.21 44.95 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.151 0.282 . . . . 0.0 111.555 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 126.34 -173.41 18.0 Favored Glycine 0 C--N 1.337 0.61 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.877 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.33 144.46 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.288 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.587 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 6.7 m -131.25 140.43 48.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.312 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -94.58 13.16 25.01 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.672 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -136.73 -159.42 0.95 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.882 -1.054 . . . . 0.0 111.143 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.2 t -158.1 -37.97 0.07 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.595 0.758 . . . . 0.0 109.625 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -86.1 -19.1 30.69 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.044 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -83.05 -29.85 28.5 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.704 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -75.53 162.25 28.47 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.261 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 81.6 m -85.72 26.36 0.97 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.108 0.48 . . . . 0.0 111.793 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' O ' ' A' ' 18' ' ' LYS . 3.4 mm-40 -112.77 90.43 15.21 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.592 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.07 123.1 7.6 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.727 2.285 . . . . 0.0 112.754 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 57.76 21.18 7.14 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.89 0.876 . . . . 0.0 112.77 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 23.4 mmtp -138.57 85.32 2.08 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.384 0.612 . . . . 0.0 110.747 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.2 m -128.8 122.09 29.75 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.745 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 2.1 mp -99.31 154.6 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.809 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.7 mp -105.79 108.22 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.631 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 46.87 139.33 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 C-N-CA 125.641 1.576 . . . . 0.0 114.763 179.24 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -140.18 -58.73 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 118.576 -0.726 . . . . 0.0 111.515 178.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.12 19.89 1.26 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 121.602 1.534 . . . . 0.0 113.651 -177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 HG21 ' NH1' ' A' ' 29' ' ' ARG . 20.3 p -147.33 164.91 31.76 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.202 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.589 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -85.58 -42.74 0.63 Allowed Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 9.6 Cg_exo -74.4 168.02 25.79 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.249 1.966 . . . . 0.0 112.639 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.85 123.76 11.77 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.601 2.201 . . . . 0.0 113.436 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' H ' ' HB3' ' A' ' 22' ' ' MET . 96.7 mtt180 -144.24 -158.3 0.87 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.86 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.587 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 89.3 m-85 -149.16 153.5 37.79 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.642 0.377 . . . . 0.0 110.828 -179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 23' ' ' LEU . 1.8 t -130.29 141.32 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.121 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 36.3 m -112.92 139.55 48.47 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.394 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' H ' ' HG3' ' A' ' 15' ' ' GLU . 64.8 m -134.12 18.34 3.75 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 123.448 0.468 . . . . 0.0 112.072 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.487 1.381 0 C-N-CA 125.115 1.366 . . . . 0.0 112.979 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.512 0.196 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.8 t -130.49 86.17 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -57.16 -46.2 82.97 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.824 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 32' ' ' CYS . 45.6 m -138.63 150.33 46.14 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.249 0.343 . . . . 0.0 111.347 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.17 -169.49 13.14 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.577 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.5 mm -94.78 144.93 8.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 5.9 m -138.85 147.91 24.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.111 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -93.6 15.49 16.03 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.909 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.27 -166.86 2.2 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.442 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 56.3 m -148.9 -39.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.552 0.741 . . . . 0.0 110.058 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 p -82.53 -21.14 35.5 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.996 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -88.06 -26.08 22.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -77.73 167.77 21.03 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.375 0.422 . . . . 0.0 110.47 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 78.2 m -72.17 -8.67 56.04 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.558 ' OE2' HG13 ' A' ' 34' ' ' VAL . 13.4 tt0 -114.09 77.4 3.86 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 122.427 0.291 . . . . 0.0 110.671 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 2.7 Cg_endo -87.16 -18.38 2.76 Favored 'Trans proline' 0 C--N 1.369 1.655 0 C-N-CA 123.013 2.475 . . . . 0.0 113.76 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.79 -39.23 17.33 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -132.17 81.73 1.98 Allowed 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.309 0.576 . . . . 0.0 110.679 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -99.22 124.61 44.42 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.785 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -97.88 151.89 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.899 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' MET . 2.6 mp -104.13 104.21 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.219 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.687 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 47.15 133.66 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.429 1.491 . . . . 0.0 114.237 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.16 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.787 0 CA-C-O 118.675 -0.678 . . . . 0.0 111.661 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -86.28 20.58 1.2 Allowed 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 121.719 1.613 . . . . 0.0 113.374 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -148.37 162.26 39.92 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.14 -179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.61 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -86.19 -43.51 0.59 Allowed Pre-proline 0 CA--C 1.552 1.052 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.516 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 11.9 Cg_exo -73.47 169.08 23.15 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.21 1.94 . . . . 0.0 112.659 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.22 120.6 7.98 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.561 2.174 . . . . 0.0 113.587 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.687 ' H ' ' HB3' ' A' ' 22' ' ' MET . 4.1 mpt_? -146.34 -162.27 1.49 Allowed 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.09 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 98.6 m-85 -155.01 154.86 33.17 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 0.0 110.1 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.13 142.49 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-O 120.8 0.333 . . . . 0.0 110.599 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 88.9 m -127.27 100.78 6.21 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.435 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 m -94.9 20.67 8.53 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.655 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG13 ' OE2' ' A' ' 15' ' ' GLU . 2.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.747 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.489 0.185 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 21.2 t -124.09 81.01 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -57.35 -48.73 78.26 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.733 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 t -141.9 145.22 34.33 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.259 0.349 . . . . 0.0 110.8 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 132.21 -152.82 20.31 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 29' ' ' ARG . 32.4 mm -102.28 146.72 9.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.353 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' A' ' 13' ' ' CYS . 11.5 m -141.69 140.64 30.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.113 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -92.21 9.34 34.13 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.593 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.82 -159.38 1.02 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.117 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.3 t -152.23 -38.88 0.11 Allowed 'General case' 0 C--N 1.348 0.527 0 C-N-CA 123.589 0.756 . . . . 0.0 109.658 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -76.24 -22.78 54.76 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.959 179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -87.98 -26.58 22.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.456 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 7' ' ' VAL . 16.9 t -80.1 171.93 14.44 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.734 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.563 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 60.1 m -65.1 -23.18 67.08 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 19' ' ' CYS . 6.0 mm-40 -103.39 91.81 3.51 Favored Pre-proline 0 CA--C 1.544 0.747 0 O-C-N 123.582 0.551 . . . . 0.0 110.211 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 14' ' ' CYS . 7.5 Cg_exo -73.74 -34.71 5.18 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.801 2.334 . . . . 0.0 113.407 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -126.7 -25.46 3.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.402 0.439 . . . . 0.0 111.658 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -93.17 24.54 3.75 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 123.35 0.406 . . . . 0.0 111.67 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLU . 27.4 p -85.5 152.22 23.35 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.903 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.445 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 2.1 mp -100.65 153.83 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' H ' HD12 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -85.01 168.89 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.812 -179.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' A' ' 28' ' ' PRO . 37.6 mtt -54.67 115.04 1.93 Allowed 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.622 0.769 . . . . 0.0 111.902 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.96 -53.41 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.959 0 CA-C-O 118.505 -0.76 . . . . 0.0 112.892 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.6 172.0 2.33 Favored 'Trans proline' 0 C--N 1.381 2.281 0 C-N-CA 122.083 1.856 . . . . 0.0 113.801 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p 53.71 175.95 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 124.35 1.06 . . . . 0.0 112.533 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.573 ' CG ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -64.96 -47.62 73.48 Favored Pre-proline 0 N--CA 1.478 0.95 0 CA-C-O 118.755 -0.64 . . . . 0.0 112.077 179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD3' ' CG ' ' A' ' 26' ' ' TRP . 1.5 Cg_endo -86.65 166.21 8.93 Favored 'Trans proline' 0 C--N 1.377 2.036 0 C-N-CA 122.276 1.984 . . . . 0.0 111.915 178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.608 ' HB2' ' SD ' ' A' ' 22' ' ' MET . 3.0 Cg_exo -75.36 116.55 4.55 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.275 1.983 . . . . 0.0 112.352 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 22' ' ' MET . 98.0 mtt180 -142.6 135.06 27.8 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.354 -179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.597 ' HB2' ' O ' ' A' ' 7' ' ' VAL . 54.0 m-85 -71.29 163.99 26.58 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.423 0.689 . . . . 0.0 111.598 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.84 148.31 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 O-C-N 123.272 0.358 . . . . 0.0 110.697 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 55.4 m -120.53 127.71 52.42 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.544 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 t -103.33 15.93 27.85 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.611 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.485 1.323 0 C-N-CA 125.174 1.389 . . . . 0.0 113.048 179.874 . . . . . . . . 0 0 . 1 stop_ save_