data_2jra_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jra _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.8 OUTLIER -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.486 ' N ' HD22 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' THR . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.54 HG21 HG21 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.512 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.431 HD11 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.431 ' O ' HD11 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.466 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.416 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.616 HD11 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.616 ' N ' HD11 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.696 -0.113 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.484 ' C ' HD13 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.484 HD13 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 ' O ' HG21 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.573 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.573 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG21 HG22 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.441 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 63' ' ' LEU . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.45 HH21 HG13 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.45 HG13 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.475 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.475 HD12 ' C ' ' B' ' 26' ' ' SER . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.408 ' HB3' HG22 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.401 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.401 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.401 HG23 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.408 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.562 HD21 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.562 ' N ' HD21 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.512 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.519 HD11 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.519 ' N ' HD11 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.468 HH21 HD21 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.724 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD21 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.53 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.724 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.499 HG23 HG21 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.472 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' HG23 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.448 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.417 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.806 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.431 HD11 HD11 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.441 HD11 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.441 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.536 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.452 HG21 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.806 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HZ2' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.413 ' C ' HD13 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.534 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' B' ' 56' ' ' ARG . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.508 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.458 HG22 ' HZ1' ' B' ' 62' ' ' LYS . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.43 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.458 ' HZ1' HG22 ' B' ' 58' ' ' THR . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.421 ' N ' HD23 ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.699 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.699 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.643 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.495 HG22 HG21 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.643 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HB2' HG22 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD13 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.748 0.309 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.624 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.401 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.624 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.58 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.401 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.53 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.53 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . 0.408 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.47 ' HB2' HG23 ' B' ' 66' ' ' THR . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.41 HD11 HD13 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.575 HD11 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.575 ' N ' HD11 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HB3' HG23 ' A' ' 28' ' ' VAL . 31.6 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.625 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.405 ' C ' HD11 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.414 HD12 HD13 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.414 HD13 HD12 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.52 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.519 HH21 HD13 ' A' ' 44' ' ' ILE . 25.6 ptt-85 . . . . . 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.519 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 HD13 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.628 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.407 ' C ' HD11 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.407 HD11 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.468 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.468 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.421 ' HB2' ' HG3' ' B' ' 43' ' ' GLU . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 62' ' ' LYS . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.428 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.445 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.605 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.566 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HG21 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.528 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.504 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 61' ' ' ASN . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.605 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.471 HG23 HG23 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.471 HG23 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.522 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.523 ' HA ' ' HG3' ' B' ' 67' ' ' LYS . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 64' ' ' ILE . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.421 ' C ' ' H ' ' B' ' 61' ' ' ASN . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.434 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.406 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG21 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB3' HG21 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.437 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' HA ' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.437 HD13 HG23 ' B' ' 46' ' ' ILE . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 HD13 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.539 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.491 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.416 ' HB3' HG21 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.456 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 35' ' ' ARG . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.456 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.508 HG22 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.508 HG23 HG22 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.454 ' N ' HD22 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.622 0.249 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' B' ' 45' ' ' VAL . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG22 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.557 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 61' ' ' ASN . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 59' ' ' SER . 10.6 m120 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.405 ' O ' HG21 ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.466 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.505 ' CD2' HD11 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.559 HG22 HG21 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.559 HG21 HG22 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 52' ' ' ARG . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.41 ' C ' ' H ' ' B' ' 61' ' ' ASN . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 59' ' ' SER . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.473 ' O ' HD22 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.478 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.651 HG23 HG13 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.68 HD21 ' HG3' ' A' ' 62' ' ' LYS . 4.9 t30 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.68 ' HG3' HD21 ' A' ' 61' ' ' ASN . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.564 ' N ' HD12 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.539 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.446 HG21 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.651 HG13 HG23 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.452 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.514 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 . . . . . 0 C--O 1.233 0.236 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.431 ' HG ' ' HD2' ' A' ' 38' ' ' PHE . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' HD2' ' HG ' ' A' ' 34' ' ' SER . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' ARG . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' ' 67' ' ' LYS . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' HD2' HD13 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD11 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 23' ' ' ARG . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.461 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.409 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.409 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.476 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' B' ' 67' ' ' LYS . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.439 HD11 HD11 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.432 HD11 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.432 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.447 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.637 ' NH2' HG22 ' A' ' 40' ' ' VAL . 6.7 ptp180 . . . . . 0 C--O 1.238 0.492 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 HG21 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.637 HG22 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.571 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.616 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' HB2' HG22 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD11 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.569 ' N ' HD11 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.543 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HE1' ' B' ' 53' ' ' TYR . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' B' ' 48' ' ' HIS . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.403 ' N ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.466 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 HG21 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 61' ' ' ASN . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 59' ' ' SER . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.513 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.513 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.49 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.405 ' CG ' ' HZ2' ' B' ' 67' ' ' LYS . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.469 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . 0.469 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 61' ' ' ASN . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' B' ' 59' ' ' SER . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.452 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HZ2' ' CG ' ' B' ' 51' ' ' ASP . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' HD13 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.5 ' HB3' HG21 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.482 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HB2' HG21 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.675 ' ND2' ' HG2' ' A' ' 62' ' ' LYS . 3.8 p-10 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.675 ' HG2' ' ND2' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.554 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.479 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.479 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.482 ' HB3' HG21 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.543 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.543 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.488 HG23 HG22 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.618 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.434 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.618 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.425 HD11 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.534 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.642 ' NE2' ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.642 ' H ' ' NE2' ' A' ' 31' ' ' GLN . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.469 HG21 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.45 0.167 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.436 ' NH2' HG22 ' B' ' 40' ' ' VAL . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.436 HG22 ' NH2' ' B' ' 23' ' ' ARG . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.419 HD11 HD13 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.419 HD13 HD11 ' B' ' 55' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB2' HD11 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.656 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 39' ' ' THR . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.656 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.477 ' HB3' HD23 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.568 HD21 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.568 ' N ' HD21 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.477 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.501 0 CA-C-O 120.712 0.291 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . 0.438 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . 0.421 ' HB2' HD11 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.427 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.407 ' O ' HD13 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.663 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.478 HG23 HG21 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.478 HG21 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . 0.663 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.474 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.474 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.495 ' N ' HD21 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.551 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.53 0.205 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.466 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.454 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.615 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.529 HG22 HG21 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.529 HG21 HG22 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . 0.466 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . 0.406 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.464 ' HB3' HD13 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.456 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 63' ' ' LEU . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.53 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG21 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' HB3' HG21 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.51 ' HB3' HD13 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.648 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' O ' HD21 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.648 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.53 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.506 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' SER . . . . . 0.468 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.462 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' THR . . . . . 0.461 HG22 HD22 ' B' ' 61' ' ' ASN . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.697 ' ND2' ' HG2' ' B' ' 62' ' ' LYS . 4.7 p-10 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.697 ' HG2' ' ND2' ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.586 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.586 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.311 0.101 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 HG22 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.51 HG21 HG23 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 HG21 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HD2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.471 ' O ' HG22 ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . 0.567 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.567 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' TYR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.447 HD11 HD11 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . 0.418 HD11 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LYS . . . . . 0.418 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.447 HD11 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.426 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 64' ' ' ILE . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 tpt -62.57 135.7 57.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.942 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 p -110.85 114.35 27.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.747 0.819 . . . . 0.0 110.498 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.93 98.43 1.33 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 120.859 0.361 . . . . 0.0 111.947 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -92.76 112.86 24.97 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 120.979 0.419 . . . . 0.0 110.181 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.79 143.71 57.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.246 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -130.0 7.62 5.13 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.74 94.47 7.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.075 0.941 . . . . 0.0 110.861 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.62 36.66 2.25 Favored Glycine 0 C--N 1.336 0.532 0 O-C-N 121.247 -0.908 . . . . 0.0 112.786 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.49 89.78 1.69 Allowed 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.863 0.84 . . . . 0.0 110.094 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.69 123.94 80.11 Favored Pre-proline 0 N--CA 1.455 -0.212 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.53 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.86 60.54 5.35 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.514 2.809 . . . . 0.0 111.964 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -62.68 -33.23 74.65 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.128 0.489 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -75.63 119.67 19.99 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.642 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.76 132.61 29.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.528 0.331 . . . . 0.0 111.619 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.63 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.22 0.95 . . . . 0.0 111.564 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.2 m 57.0 25.34 10.58 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.556 0.693 . . . . 0.0 111.004 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.4 m -119.41 88.97 39.44 Favored Pre-proline 0 C--O 1.237 0.426 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.689 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.14 152.55 24.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.568 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 43.74 1.26 Allowed Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 113.267 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.97 -53.51 29.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -85.64 103.81 14.8 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 171.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.477 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 -95.55 122.55 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.886 0.474 . . . . 0.0 110.614 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG22 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.512 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.8 OUTLIER -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 HG23 HG22 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.486 ' N ' HD22 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' THR . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 41.9 ttp 71.24 100.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.224 0.609 . . . . 0.0 111.664 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -75.86 78.88 2.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.046 0.926 . . . . 0.0 109.745 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.19 121.58 23.84 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.711 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 88.18 4.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.568 . . . . 0.0 109.874 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.08 -8.97 11.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.049 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -123.0 100.09 6.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.411 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' N ' HD23 ' B' ' 8' ' ' LEU . 2.0 pt? -160.24 134.45 7.35 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.599 0.562 . . . . 0.0 110.703 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.54 65.09 3.86 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -27.03 68.8 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.233 0.613 . . . . 0.0 111.956 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.92 120.05 50.34 Favored Pre-proline 0 C--O 1.238 0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.74 -26.17 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.852 2.368 . . . . 0.0 111.575 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -167.27 -174.18 2.51 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 123.974 0.796 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -132.27 85.25 2.22 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.972 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.56 106.16 15.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.89 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 89.05 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 m -79.08 86.38 4.92 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -117.82 98.18 51.4 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.567 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.08 77.29 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.799 1.666 . . . . 0.0 110.777 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.57 -32.27 77.63 Favored Glycine 0 C--O 1.241 0.593 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.433 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.7 24.65 4.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.715 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -91.55 104.88 17.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.448 HG13 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.448 ' HB3' HG13 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.54 HG21 HG21 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.512 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.463 ' HB2' HG22 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.416 HD13 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.431 HD11 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.431 ' O ' HD11 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.466 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.416 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.616 HD11 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.616 ' N ' HD11 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 2' ' ' MET . 23.0 mmt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 1.4 mpt? -133.7 88.31 2.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 124.062 0.852 . . . . 0.0 109.231 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -74.93 153.49 38.58 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.984 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 112.95 16.49 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 122.782 0.433 . . . . 0.0 111.012 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -62.68 129.76 41.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.86 0.464 . . . . 0.0 110.36 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.78 156.53 20.22 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.376 0.27 . . . . 0.0 111.267 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -150.31 -171.43 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.22 -176.24 3.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.313 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.6 25.09 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.702 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.47 56.92 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.808 0.813 . . . . 0.0 110.184 174.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.8 147.64 55.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.109 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.63 125.5 10.1 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.975 1.784 . . . . 0.0 112.699 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 p -86.32 10.12 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.041 0.536 . . . . 0.0 110.483 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -57.82 137.19 56.86 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.475 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.49 141.89 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.177 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.05 115.53 29.18 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.465 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 32.3 t -82.57 -169.97 2.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.843 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 m -108.62 94.03 13.2 Favored Pre-proline 0 C--O 1.244 0.767 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HD3' ' O ' ' A' ' 17' ' ' SER . 11.3 Cg_exo -70.7 146.69 55.02 Favored 'Trans proline' 0 C--O 1.244 0.793 0 C-N-CA 122.946 2.43 . . . . 0.0 110.568 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.26 -97.93 1.72 Allowed Glycine 0 C--O 1.241 0.533 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.649 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.29 138.01 3.05 Favored Glycine 0 C--O 1.22 -0.747 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.69 102.39 15.08 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 122.365 -0.491 . . . . 0.0 111.696 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -89.68 147.1 24.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.696 170.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.484 ' C ' HD13 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.484 HD13 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' O ' HG21 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.573 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CD2' HD11 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.573 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG21 HG22 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.441 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HG ' ' HB3' ' A' ' 63' ' ' LEU . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 C--O 1.239 0.509 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -167.8 25.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.773 0.796 . . . . 0.0 110.0 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -61.93 93.99 0.05 OUTLIER 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.588 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.0 78.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.314 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -109.35 90.27 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -149.93 113.82 5.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.315 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -152.68 118.94 5.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.788 0.435 . . . . 0.0 111.277 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -163.45 159.12 21.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.328 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.47 67.8 0.53 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 87.64 0.25 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.996 0.398 . . . . 0.0 110.353 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -110.65 122.33 38.61 Favored Pre-proline 0 C--N 1.32 -0.7 0 O-C-N 124.318 1.011 . . . . 0.0 110.105 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.4 -18.31 12.45 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.184 2.589 . . . . 0.0 113.858 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m 57.17 38.21 28.8 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.34 1.025 . . . . 0.0 110.109 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -78.77 108.96 12.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.89 -62.89 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.861 0.464 . . . . 0.0 110.284 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.41 78.32 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.518 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -78.33 125.4 29.3 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.021 0.528 . . . . 0.0 110.008 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -154.96 112.45 2.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 123.087 0.242 . . . . 0.0 110.844 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 142.78 26.84 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.988 2.459 . . . . 0.0 111.915 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.37 7.8 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 87.2 0.31 Allowed Glycine 0 C--O 1.243 0.663 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.47 35.26 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.077 -0.66 . . . . 0.0 109.386 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.45 HH21 HG13 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.45 HG13 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.475 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.581 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.408 HG22 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.408 ' HB3' HG22 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.401 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.401 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.401 HG23 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.408 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.408 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.562 HD21 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.562 ' N ' HD21 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.512 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.519 HD11 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.519 ' N ' HD11 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.502 0.191 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ttt -156.71 85.57 0.97 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -92.35 -10.73 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.47 88.76 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.729 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -158.97 31.22 0.21 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.146 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 21.7 t70 -65.71 153.72 40.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.022 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' NH1' ' HA ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -85.82 90.28 8.0 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.9 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.89 108.94 14.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.469 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.69 101.39 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.54 125.67 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -111.95 109.29 55.01 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.852 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.3 122.71 8.58 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.139 2.559 . . . . 0.0 111.662 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 t -73.17 95.35 2.07 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.906 0.86 . . . . 0.0 109.78 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -96.63 -178.78 4.37 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.279 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 66.51 11.39 8.04 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.635 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.2 88.5 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -81.92 119.7 24.28 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.206 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -78.41 117.01 63.73 Favored Pre-proline 0 N--CA 1.456 -0.161 0 CA-C-O 120.97 0.414 . . . . 0.0 111.026 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.36 107.08 1.51 Allowed 'Trans proline' 0 C--O 1.242 0.72 0 C-N-CA 122.37 2.046 . . . . 0.0 111.145 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.82 81.74 0.18 Allowed Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.99 60.46 0.58 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.01 126.95 33.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.397 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.472 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 -116.65 131.91 56.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.54 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.468 HH21 HD21 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.424 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.724 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 HD11 HD13 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD21 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.53 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.724 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.549 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.555 0.217 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' B' ' 2' ' ' MET . 1.1 mpt? -66.15 108.22 2.19 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.486 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 49.7 m -71.8 92.94 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.41 126.35 5.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.267 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -151.8 108.47 3.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -128.96 154.14 46.86 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.187 0.518 . . . . 0.0 111.069 -173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -174.8 85.01 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.705 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.503 HD13 ' HB3' ' B' ' 10' ' ' ALA . 2.8 pp -65.75 143.9 57.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.104 -177.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.2 76.74 1.3 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.503 ' HB3' HD13 ' B' ' 8' ' ' LEU . . . -83.24 17.59 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 0.0 111.72 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -89.69 113.29 56.25 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -84.57 13.86 2.62 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.562 2.841 . . . . 0.0 111.798 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -36.77 98.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.393 -173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -145.84 96.7 2.85 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.06 74.38 0.65 Allowed 'General case' 0 C--O 1.252 1.211 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.984 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.34 82.08 0.76 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.18 0.514 . . . . 0.0 110.055 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -109.19 62.15 0.6 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.964 0.888 . . . . 0.0 109.089 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.4 m -65.53 133.45 95.26 Favored Pre-proline 0 C--O 1.24 0.575 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.236 -175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.56 91.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.241 0.664 0 C-N-CA 123.04 2.493 . . . . 0.0 110.889 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.89 117.95 4.52 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.944 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.64 97.05 0.91 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.798 -0.239 . . . . 0.0 112.864 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 119.33 27.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.499 HG23 HG21 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.472 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.445 ' O ' HG23 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.43 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.448 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.535 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.535 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.417 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.448 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.806 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.431 HD11 HD11 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.441 HD11 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.441 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.536 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.452 HG21 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.806 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -65.76 101.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.163 0.289 . . . . 0.0 110.606 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.9 m -77.83 103.82 8.0 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 122.716 0.406 . . . . 0.0 109.92 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.95 -13.09 61.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -63.85 94.82 0.1 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.703 0.627 . . . . 0.0 110.337 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -122.65 164.47 18.18 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -78.53 -17.53 56.06 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.278 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt 68.62 -71.58 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.454 0.702 . . . . 0.0 110.872 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.2 41.79 99.54 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.79 7.75 41.65 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 124.235 0.609 . . . . 0.0 111.622 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.6 m-20 -61.82 125.98 86.11 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.789 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 40.1 Cg_exo -59.12 152.65 57.75 Favored 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 122.786 2.324 . . . . 0.0 112.389 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 m -89.81 112.78 24.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.03 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.53 101.59 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.903 0.752 . . . . 0.0 109.598 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.9 108.6 19.81 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.477 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.56 135.43 35.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.9 m -58.36 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.156 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 p -87.55 103.53 4.86 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 17' ' ' SER . 43.8 Cg_endo -92.1 171.92 2.56 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.462 2.108 . . . . 0.0 114.017 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.38 123.77 1.33 Allowed Glycine 0 C--O 1.239 0.407 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.81 92.56 0.39 Allowed Glycine 0 C--O 1.222 -0.602 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.255 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.06 35.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.929 0.492 . . . . 0.0 110.522 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 -115.94 142.25 47.03 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.484 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.598 ' HB2' ' HZ2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.2 ttt 178.54 115.14 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -70.49 74.23 0.54 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.441 0.638 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.25 95.11 9.08 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.768 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -71.0 85.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.539 0.525 . . . . 0.0 109.995 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.27 120.02 23.15 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -156.77 149.24 23.37 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 123.598 0.561 . . . . 0.0 110.554 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.73 169.75 8.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.016 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.85 58.55 0.36 Allowed Glycine 0 CA--C 1.507 -0.419 0 CA-C-N 116.515 -0.311 . . . . 0.0 112.685 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.62 89.46 3.08 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 110.611 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 119.78 78.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -52.75 -47.97 24.52 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.238 1.959 . . . . 0.0 112.155 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m 73.55 -59.07 0.57 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.668 0.787 . . . . 0.0 111.005 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 67.62 105.7 0.05 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.092 0.557 . . . . 0.0 111.734 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.12 119.14 17.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.636 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.21 146.3 25.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.317 0.579 . . . . 0.0 110.093 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -154.54 96.33 1.89 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.364 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -115.97 99.94 53.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.767 0.667 . . . . 0.0 110.345 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.99 50.41 3.35 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.257 2.638 . . . . 0.0 110.267 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.94 55.04 4.76 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-O 121.8 0.667 . . . . 0.0 113.037 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.13 106.46 2.68 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.255 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.57 112.34 24.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.238 0.615 . . . . 0.0 109.522 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.413 ' C ' HD13 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.534 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.53 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.508 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' B' ' 56' ' ' ARG . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.508 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.458 HG22 ' HZ1' ' B' ' 62' ' ' LYS . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.43 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.458 ' HZ1' HG22 ' B' ' 58' ' ' THR . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.421 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -169.32 70.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.199 0.523 . . . . 0.0 110.33 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -76.56 89.17 3.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.66 78.94 4.16 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -84.71 57.7 4.52 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.731 0.777 . . . . 0.0 110.462 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.57 150.45 32.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.404 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -152.12 147.39 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.79 -175.01 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.86 66.15 0.85 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.227 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.67 -28.49 15.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.202 0.525 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.53 145.15 50.62 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.03 81.92 1.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.661 2.24 . . . . 0.0 112.95 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -83.7 80.12 9.23 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -172.51 155.32 3.37 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.084 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.53 73.05 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.21 0.529 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.41 168.7 19.58 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.224 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.6 m -70.18 80.95 0.52 Allowed 'General case' 0 C--O 1.245 0.853 0 CA-C-O 120.807 0.336 . . . . 0.0 111.564 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -155.2 82.75 3.88 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.549 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.08 173.28 11.1 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.53 2.153 . . . . 0.0 113.321 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.79 -22.65 16.57 Favored Glycine 0 C--O 1.236 0.278 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.172 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.3 -140.8 34.47 Favored Glycine 0 C--O 1.239 0.463 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.23 110.28 21.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 -112.37 133.62 54.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -173.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.448 ' C ' HD13 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.699 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' B' ' 17' ' ' SER . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.699 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.408 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.643 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.495 HG22 HG21 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 HG21 HG22 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.643 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HB2' HG22 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD13 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.42 ' HE1' ' HB3' ' B' ' 2' ' ' MET . 49.2 ttp -68.38 143.64 55.04 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.735 0.647 . . . . 0.0 110.503 175.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -66.41 95.3 0.31 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.88 132.55 36.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -66.8 86.58 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.26 117.38 19.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.083 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.09 157.34 9.51 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -105.52 158.21 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.55 54.29 4.34 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.15 153.19 21.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.206 0.602 . . . . 0.0 110.826 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.51 123.22 73.07 Favored Pre-proline 0 N--CA 1.468 0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.502 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.63 -23.07 30.96 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.943 1.762 . . . . 0.0 112.513 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 8.5 t -137.58 130.1 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.199 0.523 . . . . 0.0 110.311 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -83.6 124.52 30.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.245 0.545 . . . . 0.0 109.764 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.577 ' HB3' HH21 ' B' ' 54' ' ' ARG . . . -63.57 -57.1 11.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.47 76.28 0.2 Allowed 'General case' 0 C--O 1.248 0.988 0 O-C-N 124.192 0.932 . . . . 0.0 111.327 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.419 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 42.4 m -60.05 -13.74 13.13 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.839 -174.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m 70.71 120.51 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.827 0.851 . . . . 0.0 112.281 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.8 114.35 3.31 Favored 'Trans proline' 0 C--O 1.239 0.533 0 C-N-CA 123.168 2.579 . . . . 0.0 111.439 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.91 -170.46 53.91 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.26 51.19 6.25 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -78.55 129.21 34.57 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.026 -0.587 . . . . 0.0 111.18 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.532 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.624 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.401 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.624 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.58 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.401 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.53 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.53 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . 0.408 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.577 HH21 ' HB3' ' B' ' 15' ' ' ALA . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.41 HD11 HD13 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.443 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.575 HD11 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.575 ' N ' HD11 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 120.766 0.317 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -151.25 163.14 39.57 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.1 m -71.37 80.59 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.454 0.645 . . . . 0.0 109.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.94 99.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.72 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -72.88 75.16 1.16 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.12 133.72 33.86 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.221 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -141.81 92.03 2.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.396 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.39 158.3 36.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.848 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 80.29 0.38 Allowed Glycine 0 C--O 1.242 0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.358 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 54.91 1.89 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.179 0.514 . . . . 0.0 110.209 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -80.46 128.58 72.07 Favored Pre-proline 0 N--CA 1.445 -0.7 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.441 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.94 110.05 0.92 Allowed 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.246 1.964 . . . . 0.0 112.131 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.8 m -83.39 116.32 22.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.448 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.79 73.36 1.56 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.647 0.737 . . . . 0.0 109.898 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.07 110.51 19.0 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.022 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.31 123.85 20.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.229 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -71.21 104.47 3.11 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.877 0.736 . . . . 0.0 109.846 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 p -66.95 116.55 36.64 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 116.873 -0.148 . . . . 0.0 111.255 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 119.2 5.55 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.719 2.279 . . . . 0.0 111.653 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.63 -168.84 41.39 Favored Glycine 0 C--O 1.237 0.282 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.647 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.03 -112.82 4.19 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.23 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.33 155.55 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 111.334 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.78 153.18 45.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.359 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' B' ' 20' ' ' GLY . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.499 ' HB3' HG23 ' A' ' 28' ' ' VAL . 31.6 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.416 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.625 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ttt -91.88 72.87 5.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.436 ' O ' HG21 ' B' ' 3' ' ' THR . 8.9 t -93.25 84.6 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.017 0.913 . . . . 0.0 109.844 177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.85 116.63 1.95 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.4 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -117.95 75.3 0.99 Allowed 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.941 0.877 . . . . 0.0 108.97 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.36 113.25 5.77 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.673 -174.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -87.23 96.27 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.905 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -106.09 100.16 9.72 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.384 0.428 . . . . 0.0 110.332 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.83 39.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 128.0 53.87 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.616 0.245 . . . . 0.0 110.895 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.8 135.35 21.63 Favored Pre-proline 0 CA--C 1.531 0.231 0 O-C-N 123.416 0.447 . . . . 0.0 109.811 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -51.02 -37.84 57.87 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.051 2.5 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m 59.66 81.51 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.084 0.865 . . . . 0.0 111.015 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -138.99 124.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.426 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.42 75.17 10.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 108.16 4.11 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.984 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -152.39 110.87 3.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.531 . . . . 0.0 109.818 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.403 ' HA ' ' HD2' ' B' ' 19' ' ' PRO . 39.9 t -110.64 104.02 55.29 Favored Pre-proline 0 C--O 1.244 0.777 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 18' ' ' SER . 29.0 Cg_endo -61.68 90.15 0.1 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 122.376 2.051 . . . . 0.0 112.83 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.411 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -71.48 -66.14 2.22 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.22 4.06 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.611 -0.328 . . . . 0.0 112.798 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.42 125.73 46.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.405 ' C ' HD11 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.414 HD12 HD13 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.409 HG21 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.414 HD13 HD12 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.52 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.8 mtp -94.3 92.66 7.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.32 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -104.28 167.27 9.86 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.462 0.305 . . . . 0.0 110.496 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.21 110.33 4.53 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -77.15 -10.48 59.42 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -52.11 115.58 1.78 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 35.4 ptt180 -85.8 26.85 0.92 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.19 -178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 6.9 mp 67.0 20.91 10.39 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 91.88 0.36 Allowed Glycine 0 C--O 1.223 -0.546 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.539 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.12 147.45 28.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.06 93.53 30.53 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.51 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -97.04 1.84 1.71 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.417 2.745 . . . . 0.0 113.423 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' HG21 ' A' ' 13' ' ' THR . 8.6 t -72.26 106.68 4.53 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.47 0.652 . . . . 0.0 111.493 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -158.7 113.44 2.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.79 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.86 110.69 15.75 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 107.35 0.29 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.238 0.962 . . . . 0.0 110.807 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 m -63.94 102.8 0.51 Allowed 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.131 0.894 . . . . 0.0 110.263 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 p -69.02 122.92 86.91 Favored Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.582 0.551 . . . . 0.0 110.987 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.91 -163.81 0.23 Allowed 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.94 2.427 . . . . 0.0 112.699 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.49 -149.46 19.39 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.52 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.51 176.2 45.86 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 122.3 41.92 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.44 -1.035 . . . . 0.0 109.485 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.519 HH21 HD13 ' A' ' 44' ' ' ILE . 25.6 ptt-85 -124.27 139.52 53.84 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.519 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.488 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CD2' HD11 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 HG22 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 HD13 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' HB3' HD13 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD12 HD11 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD11 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.628 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.628 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -146.56 102.86 3.62 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.434 HG21 ' O ' ' B' ' 3' ' ' THR . 7.5 t -150.03 93.45 2.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.172 0.987 . . . . 0.0 109.315 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.7 12.91 35.36 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.54 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -101.52 110.63 22.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.118 0.485 . . . . 0.0 110.366 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.17 101.22 10.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.459 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.09 149.06 10.3 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -172.32 103.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 -160.46 28.26 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.174 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.06 139.15 0.8 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 123.49 0.716 . . . . 0.0 110.017 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.23 86.35 54.23 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-O 120.856 0.36 . . . . 0.0 110.799 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -97.84 4.18 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.892 2.395 . . . . 0.0 111.618 167.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 25.9 m -60.58 134.22 56.86 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.566 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 177.25 8.51 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.974 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.47 105.01 8.33 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.805 0.336 . . . . 0.0 110.307 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.99 -12.65 38.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.428 0.632 . . . . 0.0 110.799 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -127.87 106.88 9.41 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -143.99 88.42 7.59 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -87.59 -170.2 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.182 1.921 . . . . 0.0 112.433 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.39 95.02 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.259 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.2 164.85 14.14 Favored Glycine 0 C--O 1.239 0.441 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.14 120.8 41.36 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.519 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.407 ' C ' HD11 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.407 HD11 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.424 HG21 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.435 ' CD2' HD11 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.468 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.468 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.421 ' HB2' ' HG3' ' B' ' 43' ' ' GLU . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.445 HD23 ' O ' ' B' ' 62' ' ' LYS . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.428 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.445 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.507 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 C--O 1.256 1.443 0 CA-C-O 121.815 0.817 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.482 ' HG3' HG21 ' A' ' 3' ' ' THR . 26.4 ptt? -86.94 -41.14 14.18 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.752 -0.593 . . . . 0.0 110.02 -177.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.482 HG21 ' HG3' ' A' ' 2' ' ' MET . 36.6 p -110.0 83.66 1.79 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 8' ' ' LEU . . . -95.46 -16.12 22.46 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.96 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -55.92 115.07 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.982 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 t70 75.73 -37.06 0.31 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.913 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 7' ' ' ARG . 3.2 tpm_? -65.61 -57.46 8.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' ' 4' ' ' ALA . 6.9 mp -94.16 109.5 21.28 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.3 -34.75 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.538 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.25 106.97 1.19 Allowed 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.66 142.19 43.39 Favored Pre-proline 0 C--O 1.239 0.549 0 C-N-CA 122.23 0.212 . . . . 0.0 111.499 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.44 24.41 0.73 Allowed 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 124.153 3.235 . . . . 0.0 111.822 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -83.35 26.75 0.63 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.628 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -75.25 81.69 2.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.3 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.9 -39.7 1.76 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.6 35.13 0.4 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.296 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 m -62.1 120.0 10.03 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.229 0.612 . . . . 0.0 111.148 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.438 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 p -159.4 101.53 1.53 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.776 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 18' ' ' SER . 20.4 Cg_endo -60.67 -40.5 54.84 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.825 2.35 . . . . 0.0 111.524 175.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.09 118.84 4.53 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.167 0.427 . . . . 0.0 114.167 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.67 158.25 28.37 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -111.95 125.82 54.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 119.556 1.678 . . . . 0.0 108.954 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -146.59 157.09 43.66 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.605 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.566 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.503 HG21 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG12 HG21 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.528 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD13 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.504 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 61' ' ' ASN . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD21 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 23.6 ttt -163.46 110.81 1.18 Allowed 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.481 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -160.77 164.31 31.61 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.73 0.644 . . . . 0.0 110.247 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.31 0.63 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.177 0.923 . . . . 0.0 110.509 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -82.73 148.52 27.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.81 0.814 . . . . 0.0 110.525 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -108.38 97.1 6.83 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -94.26 0.32 55.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 122.703 1.24 . . . . 0.0 111.057 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.479 HD12 ' N ' ' B' ' 8' ' ' LEU . 4.9 mp -90.72 -6.95 53.77 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 121.425 -0.797 . . . . 0.0 110.744 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.21 7.78 43.16 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 116.427 -0.351 . . . . 0.0 113.202 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.38 109.94 2.91 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 122.125 -0.633 . . . . 0.0 110.61 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -114.28 85.58 10.77 Favored Pre-proline 0 C--O 1.239 0.502 0 CA-C-O 121.421 0.629 . . . . 0.0 110.23 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -88.77 -2.13 6.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.273 2.649 . . . . 0.0 112.603 -177.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m 56.15 73.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -120.79 92.68 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.999 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 105.9 0.39 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.34 81.24 0.37 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.45 0.643 . . . . 0.0 110.48 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -152.1 56.88 0.84 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.199 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -59.99 148.9 76.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.247 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.28 74.25 0.78 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.171 1.914 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.74 -67.67 3.34 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.03 -158.67 51.73 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.886 -1.285 . . . . 0.0 109.886 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -112.7 124.99 53.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 118.121 0.96 . . . . 0.0 109.601 174.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.605 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.471 HG23 HG23 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.471 HG23 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.522 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.523 ' HA ' ' HG3' ' B' ' 67' ' ' LYS . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.406 HD12 ' O ' ' B' ' 64' ' ' ILE . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.419 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.434 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.421 ' C ' ' H ' ' B' ' 61' ' ' ASN . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.434 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.406 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.523 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' SD ' ' A' ' 1' ' ' MET . 3.6 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -89.49 124.07 34.18 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 123.319 0.648 . . . . 0.0 110.726 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 t -144.84 135.37 24.42 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.67 0.272 . . . . 0.0 110.677 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.04 116.34 20.94 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -148.05 148.63 30.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.72 108.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.459 ' HG2' HD12 ' A' ' 8' ' ' LEU . 40.7 ttp180 -90.7 110.81 21.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 7' ' ' ARG . 9.0 mp 62.16 88.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.163 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.63 117.62 0.96 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.7 166.15 15.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.522 0.201 . . . . 0.0 111.011 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -114.7 102.18 54.71 Favored Pre-proline 0 N--CA 1.473 0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.327 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.71 -178.1 3.15 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.294 1.996 . . . . 0.0 112.461 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -153.68 141.14 19.76 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -86.97 -15.31 39.21 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.05 0.928 . . . . 0.0 110.157 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 110.24 1.85 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.337 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 126.36 27.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.867 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.5 m -65.56 86.23 0.08 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.177 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -106.41 95.9 12.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.387 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 17' ' ' SER . 40.9 Cg_endo -96.44 14.02 0.99 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.641 2.894 . . . . 0.0 112.417 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.4 -172.46 50.3 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 -175.05 29.79 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -103.6 121.65 43.35 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.547 1.173 . . . . 0.0 108.853 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.491 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 -131.35 145.19 51.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.386 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.546 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG21 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.475 ' HB3' HG21 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.512 HG22 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.437 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.437 HD13 HG23 ' B' ' 46' ' ' ILE . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' O ' HD13 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 HD13 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttm . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.161 0.505 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 ttm -93.24 149.57 21.13 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.238 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m 69.51 22.71 6.26 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.513 0.673 . . . . 0.0 110.424 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.13 16.76 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.627 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -68.37 -4.23 13.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.355 0.662 . . . . 0.0 112.257 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.48 -25.09 50.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.285 -175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -61.15 140.57 57.87 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.013 0.82 . . . . 0.0 111.284 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.462 HD13 ' O ' ' B' ' 8' ' ' LEU . 2.8 pp -142.74 150.06 39.58 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.388 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 16.92 55.57 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.205 -0.521 . . . . 0.0 111.897 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.46 3.29 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.257 0.551 . . . . 0.0 110.717 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -144.57 126.17 7.96 Favored Pre-proline 0 CA--C 1.511 -0.542 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.25 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -55.82 -59.38 0.74 Allowed 'Trans proline' 0 C--O 1.242 0.719 0 C-N-CA 122.782 2.321 . . . . 0.0 112.566 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 70.93 -46.21 0.63 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.503 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.63 89.83 0.07 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 122.19 0.196 . . . . 0.0 110.815 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.02 101.1 12.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 87.39 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.933 0.397 . . . . 0.0 110.836 -176.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -79.03 94.23 5.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 173.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.2 m -111.93 119.67 43.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.955 -170.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.95 -171.23 1.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 121.805 1.67 . . . . 0.0 110.55 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.23 -53.34 46.49 Favored Glycine 0 C--N 1.314 -0.669 0 C-N-CA 121.331 -0.461 . . . . 0.0 113.587 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.36 -166.97 28.06 Favored Glycine 0 N--CA 1.439 -1.163 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -105.58 124.02 48.86 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 117.807 0.803 . . . . 0.0 109.621 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.539 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.416 ' HB3' HG21 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.456 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 35' ' ' ARG . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.456 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.508 HG22 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.508 HG23 HG22 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.437 HG23 HD13 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.454 ' N ' HD22 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.3 mtp -115.03 119.91 38.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.051 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -144.18 -176.65 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.754 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.46 96.34 0.01 OUTLIER 'General case' 0 C--O 1.243 0.763 0 O-C-N 123.632 0.582 . . . . 0.0 109.973 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 p -96.01 -170.16 2.07 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.334 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.73 81.28 0.61 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 122.086 0.154 . . . . 0.0 110.859 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -127.9 89.84 3.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.717 0.807 . . . . 0.0 109.553 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 tp -158.25 166.42 32.4 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.415 0.686 . . . . 0.0 110.069 -174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 77.04 0.09 OUTLIER Glycine 0 C--O 1.244 0.777 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.35 -82.49 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.398 0.679 . . . . 0.0 111.377 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -143.83 141.14 18.11 Favored Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.76 -23.6 10.85 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 121.874 1.716 . . . . 0.0 110.785 168.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -177.9 179.32 0.88 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-N 113.463 -1.698 . . . . 0.0 107.882 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.18 102.2 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.47 -39.65 61.38 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.345 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.45 83.33 1.09 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.572 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.494 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.2 p -79.47 -9.73 59.67 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -82.36 107.64 9.48 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 123.148 0.579 . . . . 0.0 109.591 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 17' ' ' SER . 41.2 Cg_endo -96.2 162.8 1.28 Allowed 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.64 2.226 . . . . 0.0 112.833 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.38 58.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 170.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.89 43.64 48.76 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 114.918 -0.641 . . . . 0.0 113.014 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -104.09 128.11 51.7 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -132.06 148.12 52.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.832 -0.543 . . . . 0.0 111.452 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' B' ' 45' ' ' VAL . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.524 HG22 HG22 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 HG22 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.557 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.557 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 61' ' ' ASN . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 59' ' ' SER . 10.6 m120 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.636 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.264 0.554 . . . . 0.0 111.591 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.37 164.51 24.67 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -119.36 150.65 39.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.672 0.748 . . . . 0.0 110.439 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.71 17.22 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.507 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -70.33 135.32 48.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.454 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -87.41 129.05 35.18 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.571 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -135.76 11.38 3.41 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.541 0.336 . . . . 0.0 111.011 -176.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tt -78.18 94.29 4.72 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.96 4.53 Favored Glycine 0 C--O 1.237 0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.197 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.24 111.68 19.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.948 0.44 . . . . 0.0 110.766 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.98 129.29 85.07 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.734 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.44 -43.61 17.22 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 121.764 1.643 . . . . 0.0 110.823 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m 69.26 143.21 0.04 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 124.582 1.176 . . . . 0.0 111.163 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.06 142.81 41.68 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.98 24.15 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.993 0.517 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.05 101.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.506 0.669 . . . . 0.0 110.179 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -107.71 113.67 27.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -119.76 96.4 49.55 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.768 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.8 -54.38 5.55 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.22 3.28 . . . . 0.0 112.976 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.79 137.19 1.24 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 121.854 0.697 . . . . 0.0 113.606 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.3 170.99 38.2 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.66 121.3 44.74 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 119.083 1.441 . . . . 0.0 109.529 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.458 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.405 ' O ' HG21 ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.466 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.505 ' CD2' HD11 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.559 HG22 HG21 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.559 HG21 HG22 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' GLN . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 52' ' ' ARG . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.509 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.41 ' C ' ' H ' ' B' ' 61' ' ' ASN . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 59' ' ' SER . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.473 ' O ' HD22 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.478 ' N ' HD22 ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.937 0.875 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -145.49 161.52 39.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -139.9 152.14 46.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.296 0.238 . . . . 0.0 110.416 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.55 75.48 6.18 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -65.25 96.62 0.23 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.986 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.07 107.35 8.59 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.44 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -119.69 22.55 11.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.544 1.164 . . . . 0.0 108.606 171.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.2 167.84 19.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.524 -1.217 . . . . 0.0 111.482 -171.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.4 149.49 6.93 Favored Glycine 0 C--O 1.249 1.05 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.201 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 131.29 50.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.136 0.468 . . . . 0.0 111.03 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.25 115.81 58.76 Favored Pre-proline 0 N--CA 1.454 -0.259 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.92 109.8 0.39 Allowed 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.626 2.218 . . . . 0.0 112.055 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 p -81.2 103.73 11.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -81.43 103.03 10.89 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.997 0.427 . . . . 0.0 111.097 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 120.41 21.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.137 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 129.18 35.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -73.21 81.39 1.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.046 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.1 p -65.3 111.97 7.31 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 122.913 0.485 . . . . 0.0 111.399 -173.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 18' ' ' SER . 2.8 Cg_exo -77.68 -20.01 12.37 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.399 3.399 . . . . 0.0 112.22 176.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.13 -120.82 7.36 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.45 -175.45 41.85 Favored Glycine 0 CA--C 1.504 -0.656 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -114.38 135.71 53.79 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.127 0.964 . . . . 0.0 109.865 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -150.1 168.61 23.41 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.95 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.651 HG23 HG13 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' B' ' 19' ' ' PRO . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.43 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.416 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.68 HD21 ' HG3' ' A' ' 62' ' ' LYS . 4.9 t30 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.68 ' HG3' HD21 ' A' ' 61' ' ' ASN . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.564 ' N ' HD12 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.588 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -83.85 169.28 15.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.137 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.8 t -56.93 135.56 56.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.579 0.704 . . . . 0.0 111.092 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.79 103.39 7.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.962 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -140.71 151.56 44.62 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.14 131.86 6.89 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 122.641 0.377 . . . . 0.0 111.271 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -148.16 116.96 6.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.081 0.553 . . . . 0.0 110.45 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.71 93.47 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.71 81.87 0.51 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 104.57 0.16 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.431 -0.385 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.82 115.5 21.22 Favored Pre-proline 0 C--N 1.318 -0.769 0 O-C-N 123.781 0.676 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.54 -16.63 34.28 Favored 'Trans proline' 0 C--O 1.249 1.033 0 C-N-CA 123.085 2.523 . . . . 0.0 112.594 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m 58.62 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 123.807 0.692 . . . . 0.0 110.93 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -73.23 84.41 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.87 0.843 . . . . 0.0 109.606 176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.86 100.03 1.57 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.36 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.24 78.39 1.55 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.801 0.688 . . . . 0.0 111.094 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -174.72 158.13 2.62 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.418 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.1 m -103.98 97.3 10.95 Favored Pre-proline 0 C--O 1.246 0.885 0 C-N-CA 123.069 0.548 . . . . 0.0 111.008 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.416 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 50.8 Cg_endo -68.09 -31.69 29.43 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.778 2.986 . . . . 0.0 112.055 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.9 -111.15 2.57 Favored Glycine 0 C--N 1.334 0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.631 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.48 159.19 32.42 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -114.6 129.87 56.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 117.538 0.669 . . . . 0.0 109.676 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.539 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.439 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.446 HG21 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.651 HG13 HG23 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.452 HD13 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.452 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ptm -70.02 121.55 17.64 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.038 0.447 . . . . 0.0 110.124 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -103.14 136.99 41.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.025 0.44 . . . . 0.0 110.464 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.57 99.57 3.38 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.615 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -165.41 116.55 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 122.94 0.496 . . . . 0.0 110.065 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.67 162.93 27.81 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -125.53 19.43 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.567 0.542 . . . . 0.0 110.302 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -68.51 149.83 48.78 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.16 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.89 93.46 0.09 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.04 152.97 32.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.9 128.51 78.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.227 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -87.27 46.5 1.39 Allowed 'Trans proline' 0 N--CA 1.486 1.071 0 C-N-CA 123.646 2.898 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.3 p -69.41 91.02 0.54 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 -176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -117.56 94.55 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.877 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.2 127.69 33.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.325 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 85.44 0.47 Allowed 'General case' 0 C--O 1.247 0.925 0 O-C-N 123.455 0.472 . . . . 0.0 110.466 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -64.9 131.11 45.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.303 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -116.28 97.93 50.56 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.541 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.65 157.18 56.33 Favored 'Trans proline' 0 C--O 1.243 0.725 0 C-N-CA 121.861 1.708 . . . . 0.0 111.208 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -161.16 12.13 Favored Glycine 0 N--CA 1.44 -1.069 0 O-C-N 121.965 -0.46 . . . . 0.0 112.717 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.15 138.78 7.48 Favored Glycine 0 C--N 1.333 0.368 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.35 145.1 31.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.161 -0.611 . . . . 0.0 110.785 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.514 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 -144.01 162.96 34.86 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.431 ' HG ' ' HD2' ' A' ' 38' ' ' PHE . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' HD2' ' HG ' ' A' ' 34' ' ' SER . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.551 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' A' ' 54' ' ' ARG . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' ' 67' ' ' LYS . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' HD2' HD13 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD11 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.585 ' N ' HD11 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 C--O 1.241 0.642 0 CA-C-O 120.98 0.419 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.22 77.79 4.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -73.26 87.54 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.943 0.877 . . . . 0.0 110.476 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.93 24.01 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.692 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -109.49 2.99 20.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.204 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.73 128.79 38.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.243 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.42 119.79 38.55 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.748 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.462 ' N ' HD21 ' B' ' 8' ' ' LEU . 2.3 pt? -152.84 156.38 38.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.103 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.51 129.05 1.14 Allowed Glycine 0 C--O 1.243 0.657 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.017 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.13 117.07 33.37 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 122.343 0.257 . . . . 0.0 111.083 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 124.67 89.88 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.25 -37.98 29.11 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.278 1.985 . . . . 0.0 112.388 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 71.17 -58.3 0.58 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.483 1.114 . . . . 0.0 112.365 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.85 144.1 56.48 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 111.483 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.5 93.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.112 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.01 138.56 39.67 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.603 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.6 m -147.58 115.23 6.37 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.892 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -73.89 138.07 76.44 Favored Pre-proline 0 C--O 1.242 0.7 0 O-C-N 122.102 -0.374 . . . . 0.0 110.577 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.65 156.73 40.82 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.26 2.64 . . . . 0.0 111.781 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 -117.31 1.27 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.206 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.53 98.05 2.4 Favored Glycine 0 C--O 1.236 0.265 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.23 140.79 40.95 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 117.883 0.842 . . . . 0.0 109.628 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 23' ' ' ARG . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.421 HG23 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.461 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.409 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.409 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.443 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.476 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' B' ' 67' ' ' LYS . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.439 HD11 HD11 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.432 HD11 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.432 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.447 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.723 0.297 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 53.7 ttp -62.5 83.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.587 0.708 . . . . 0.0 111.349 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.8 m -114.77 92.62 4.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.081 173.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.1 97.11 2.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.846 -176.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -125.13 95.02 4.34 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.696 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.51 145.7 28.77 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.186 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.578 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -150.8 154.09 36.65 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.208 0.528 . . . . 0.0 110.314 -179.496 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.75 120.92 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.41 0.684 . . . . 0.0 109.914 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.01 -3.74 6.22 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.435 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 69.26 2.34 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.568 0.699 . . . . 0.0 110.54 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.9 p-10 -77.15 140.05 65.56 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-O 121.131 0.491 . . . . 0.0 110.244 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 11.5 Cg_exo -71.19 101.81 1.16 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 122.275 1.983 . . . . 0.0 112.236 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -91.77 79.44 5.36 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -109.23 21.74 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.702 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.97 90.59 1.97 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.649 0.737 . . . . 0.0 110.584 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.93 103.25 15.86 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.966 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -62.09 105.74 0.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.827 0.346 . . . . 0.0 110.306 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 m -79.2 117.71 68.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.53 141.3 41.75 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.321 2.014 . . . . 0.0 112.512 -174.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.0 45.6 1.08 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.64 -143.49 6.88 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.87 125.61 42.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.637 ' NH2' HG22 ' A' ' 40' ' ' VAL . 6.7 ptp180 -125.38 139.85 53.31 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.327 -177.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 HG21 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.503 HG23 HG23 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.637 HG22 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.571 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.616 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' HB2' HG22 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD11 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.569 ' N ' HD11 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.422 ' SD ' ' N ' ' B' ' 1' ' ' MET . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ptm -176.81 177.78 1.29 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.567 0.542 . . . . 0.0 110.043 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -142.76 122.85 13.68 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.08 139.17 45.49 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -160.36 120.7 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.224 0.535 . . . . 0.0 109.567 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.11 90.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -143.67 143.29 31.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.123 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.549 HD22 ' N ' ' B' ' 8' ' ' LEU . 1.2 pt? -155.85 84.05 1.02 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.719 0.771 . . . . 0.0 110.11 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.22 9.85 7.39 Favored Glycine 0 C--O 1.239 0.46 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.825 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.23 107.89 19.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.908 0.385 . . . . 0.0 110.429 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -159.24 150.22 16.14 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.44 -26.04 10.63 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.063 2.509 . . . . 0.0 112.544 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.9 m 64.16 102.32 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.983 0.897 . . . . 0.0 109.79 -173.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.85 82.38 0.91 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.328 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.93 36.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.844 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 55.43 30.56 15.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.285 0.634 . . . . 0.0 110.476 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.3 p -63.45 84.19 0.03 OUTLIER 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.014 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -95.89 111.54 56.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -87.44 167.6 7.55 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.345 2.03 . . . . 0.0 113.28 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.06 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 O-C-N 124.177 0.923 . . . . 0.0 110.982 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.97 -125.68 39.63 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-O 121.095 0.275 . . . . 0.0 112.987 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.86 129.92 38.63 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.543 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.557 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.557 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . 0.413 ' HB3' ' HE1' ' B' ' 53' ' ' TYR . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.413 ' HE1' ' HB3' ' B' ' 48' ' ' HIS . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.466 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.403 ' N ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.466 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.337 0.113 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.445 ' O ' ' HG3' ' A' ' 2' ' ' MET . 49.1 tpp -156.74 22.44 0.33 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.645 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.7 m -60.19 -33.55 72.37 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.266 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.73 88.03 7.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.988 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -127.31 41.04 3.59 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.853 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.42 159.2 34.95 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -77.24 87.13 3.67 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 121.947 -0.471 . . . . 0.0 111.956 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.96 92.36 0.51 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.146 -0.686 . . . . 0.0 109.146 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.52 44.28 0.23 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.87 92.8 4.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -114.39 116.32 44.1 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.369 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -66.47 155.53 69.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.143 2.562 . . . . 0.0 111.693 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 t -148.9 120.79 8.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.8 98.75 1.94 Allowed 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.0 24.99 8.09 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.6 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 92.67 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.592 0.558 . . . . 0.0 110.985 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 m -95.61 128.24 42.31 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.043 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -151.37 89.24 4.22 Favored Pre-proline 0 C--O 1.243 0.731 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.07 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -90.99 -167.64 0.23 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 123.348 2.698 . . . . 0.0 111.363 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -71.36 0.87 Allowed Glycine 0 C--O 1.24 0.48 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.15 -134.23 36.94 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.194 0.585 . . . . 0.0 112.57 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -94.2 137.89 32.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -140.25 151.23 44.97 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.553 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 HG21 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.501 HG21 HG22 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.456 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD22 HD11 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' HB3' HD13 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 61' ' ' ASN . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 59' ' ' SER . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD11 HD22 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.432 0.634 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -156.78 151.76 26.09 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.443 HG22 ' H ' ' B' ' 5' ' ' SER . 16.8 m -60.04 132.09 52.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.701 0.762 . . . . 0.0 110.472 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.66 -21.68 54.78 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.207 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.722 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 30.4 m -69.43 15.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.17 97.52 0.06 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 66.11 14.9 9.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.851 0.86 . . . . 0.0 111.008 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.722 ' HB3' ' HA ' ' B' ' 5' ' ' SER . 6.2 tt -100.05 128.92 46.06 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.445 ' N ' HD22 ' B' ' 8' ' ' LEU . . . 76.38 42.11 23.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -171.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.46 60.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.326 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.73 107.37 2.47 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 -30.52 10.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.015 1.81 . . . . 0.0 112.466 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m 51.37 66.27 1.24 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.42 150.05 49.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.817 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 88.18 0.09 Allowed 'General case' 0 C--O 1.247 0.97 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.17 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.04 91.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.0 m -78.75 -25.23 44.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.212 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -78.15 111.99 22.39 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.493 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.9 133.08 28.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.416 2.077 . . . . 0.0 111.277 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.26 61.06 4.44 Favored Glycine 0 CA--C 1.497 -1.066 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.999 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.53 89.5 0.11 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -90.75 145.1 25.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.513 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.513 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.49 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.476 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.405 ' CG ' ' HZ2' ' B' ' 67' ' ' LYS . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.469 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . 0.469 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.456 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . 0.413 ' C ' ' H ' ' B' ' 61' ' ' ASN . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' B' ' 59' ' ' SER . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.452 ' N ' HD21 ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HZ2' ' CG ' ' B' ' 51' ' ' ASP . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.438 0.161 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.0 OUTLIER -83.41 81.17 8.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -80.78 104.59 11.4 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 109.98 21.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.877 0.37 . . . . 0.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.525 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.6 p -81.27 99.65 8.73 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.221 0.534 . . . . 0.0 109.86 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.67 124.79 31.88 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.342 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' NH1' ' HB2' ' A' ' 5' ' ' SER . 2.9 mpt_? -91.26 99.4 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.73 164.09 14.55 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.894 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.75 109.16 0.3 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.923 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.89 147.49 35.05 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -130.79 85.6 54.99 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.789 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.53 111.7 2.85 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 123.114 2.543 . . . . 0.0 112.16 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 m -80.29 89.72 5.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.353 0.597 . . . . 0.0 109.773 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -97.92 96.67 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.964 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 126.69 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.082 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.22 178.35 6.3 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.673 0.273 . . . . 0.0 110.538 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -136.24 146.18 46.45 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.804 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.3 m -112.08 127.61 26.63 Favored Pre-proline 0 N--CA 1.447 -0.615 0 C-N-CA 122.96 0.504 . . . . 0.0 111.048 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.39 116.16 3.22 Favored 'Trans proline' 0 C--O 1.244 0.8 0 C-N-CA 122.804 2.336 . . . . 0.0 111.636 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.3 56.9 0.09 OUTLIER Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.93 -98.87 2.59 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.293 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.81 142.76 27.39 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 122.763 0.425 . . . . 0.0 111.358 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -133.52 149.82 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' C ' HD13 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.5 ' HB3' HG21 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.482 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.408 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' HB2' HG21 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.675 ' ND2' ' HG2' ' A' ' 62' ' ' LYS . 3.8 p-10 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.675 ' HG2' ' ND2' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.563 0.22 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' B' ' 2' ' ' MET . 1.4 pmm? -97.29 125.52 41.91 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.6 m -69.33 82.51 0.37 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.563 0.697 . . . . 0.0 110.585 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.52 87.15 4.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.89 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -72.39 84.69 1.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.688 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.35 132.51 52.87 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.666 0.386 . . . . 0.0 110.817 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -164.62 146.02 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.029 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.26 143.34 6.15 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.641 0.588 . . . . 0.0 110.563 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.58 115.87 5.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.02 114.19 15.49 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -138.58 132.5 16.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . 0.443 ' C ' ' H ' ' B' ' 14' ' ' GLN . 15.0 Cg_endo -54.84 -53.16 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m 68.02 -16.23 0.19 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.291 176.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' B' ' 12' ' ' PRO . 48.5 mt-30 -72.66 115.19 11.65 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.099 -0.376 . . . . 0.0 111.444 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.82 92.19 2.38 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 96.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.227 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -71.51 -48.15 50.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.549 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.3 m -155.94 136.25 8.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.612 0.244 . . . . 0.0 111.403 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.17 5.47 6.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.637 2.225 . . . . 0.0 112.177 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.84 -172.49 45.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.547 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.84 -107.36 0.58 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.77 135.82 34.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.554 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.479 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.479 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.482 ' HB3' HG21 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.543 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.543 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.434 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.488 HG23 HG22 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.618 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.434 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.534 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.618 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.425 HD11 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.534 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.555 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -113.44 167.3 10.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.656 0.598 . . . . 0.0 110.68 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.4 p -84.41 39.24 0.72 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.771 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 84.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.916 0.865 . . . . 0.0 110.516 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -150.41 83.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.618 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.29 158.66 15.48 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.708 -0.62 . . . . 0.0 110.464 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.28 128.39 34.15 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.925 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD22 ' N ' ' A' ' 8' ' ' LEU . 2.1 pt? -141.79 153.88 44.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.81 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.13 -20.27 0.07 OUTLIER Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.77 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.13 91.72 0.06 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.926 0.427 . . . . 0.0 112.005 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.17 138.75 92.23 Favored Pre-proline 0 C--O 1.243 0.761 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.727 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.77 119.82 6.71 Favored 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.122 1.881 . . . . 0.0 110.708 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -69.71 121.96 18.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.33 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.88 99.51 12.45 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 121.386 0.612 . . . . 0.0 110.976 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.99 141.47 28.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.453 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.77 69.45 7.32 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.243 0.544 . . . . 0.0 110.505 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -83.9 89.89 7.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.43 177.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -95.16 109.68 46.07 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.471 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.73 120.23 7.32 Favored 'Trans proline' 0 C--O 1.246 0.877 0 C-N-CA 122.499 2.132 . . . . 0.0 111.999 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.44 76.55 0.32 Allowed Glycine 0 CA--C 1.506 -0.479 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.42 159.85 19.31 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.113 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -80.06 102.54 9.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.819 0.342 . . . . 0.0 110.624 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.59 134.18 34.82 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.642 ' NE2' ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.642 ' H ' ' NE2' ' A' ' 31' ' ' GLN . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.469 HG21 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 HG21 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.5 ttt -156.85 124.71 5.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.512 HG23 ' H ' ' B' ' 5' ' ' SER . 53.7 m -149.92 140.71 22.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.589 0.756 . . . . 0.0 109.725 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.42 16.7 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.512 ' H ' HG23 ' B' ' 3' ' ' THR . 31.0 m -92.22 0.6 57.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.65 -40.04 93.48 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.523 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -152.25 102.78 2.8 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.973 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.4 tp -168.39 113.1 0.62 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.286 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.69 76.44 0.82 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.335 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.07 95.45 2.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.9 132.08 92.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.606 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -90.5 17.34 1.49 Allowed 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.034 2.489 . . . . 0.0 113.069 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.6 m -47.04 135.94 9.08 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.407 -175.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -159.26 122.54 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.07 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.55 76.86 1.56 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 114.83 7.48 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.164 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.7 p -73.61 116.96 14.8 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.379 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -114.96 91.27 25.96 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.536 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.45 166.38 30.01 Favored 'Trans proline' 0 C--O 1.247 0.947 0 C-N-CA 123.269 2.646 . . . . 0.0 111.786 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.93 -85.63 0.25 Allowed Glycine 0 C--O 1.252 1.25 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.9 157.09 5.61 Favored Glycine 0 N--CA 1.461 0.353 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.541 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.03 127.67 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.686 -0.302 . . . . 0.0 110.789 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.436 ' NH2' HG22 ' B' ' 40' ' ' VAL . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.521 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.436 HG22 ' NH2' ' B' ' 23' ' ' ARG . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.416 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.419 HD11 HD13 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.419 HD13 HD11 ' B' ' 55' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 81.9 mtp -118.09 123.71 46.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.832 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -150.36 144.95 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.892 0.377 . . . . 0.0 110.031 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.09 116.13 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -84.62 106.61 16.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.661 0.267 . . . . 0.0 110.59 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.19 132.77 48.47 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.0 81.21 9.0 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.558 0.694 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.81 106.82 3.72 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.06 157.96 53.32 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-O 121.444 0.469 . . . . 0.0 113.019 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.73 92.64 2.24 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 122.335 -0.509 . . . . 0.0 109.967 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -96.2 129.14 34.49 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.13 117.31 4.38 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 122.135 1.89 . . . . 0.0 112.758 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -93.99 128.79 40.53 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -165.11 134.52 3.54 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.047 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.78 33.26 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.03 121.66 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.613 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -66.44 93.19 0.22 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.687 0.617 . . . . 0.0 109.547 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -68.11 117.53 49.94 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.633 ' HA ' HG23 ' A' ' 40' ' ' VAL . 56.8 Cg_endo -68.47 141.86 52.25 Favored 'Trans proline' 0 C--O 1.244 0.803 0 C-N-CA 122.941 2.427 . . . . 0.0 112.011 -177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.76 120.96 8.38 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.99 -73.26 0.46 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 112.251 -0.339 . . . . 0.0 112.251 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -113.03 119.6 38.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 -133.17 152.74 51.94 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.044 -171.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.412 ' HB2' HD11 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' HD13 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.656 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.513 HG22 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' HA ' ' A' ' 19' ' ' PRO . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.656 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.477 ' HB3' HD23 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.568 HD21 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.568 ' N ' HD21 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.477 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.14 134.64 45.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -140.88 95.49 2.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.402 0.62 . . . . 0.0 110.492 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.76 75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.894 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -85.92 -4.64 59.22 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.616 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.53 132.14 34.95 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.99 174.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -128.54 123.91 34.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.432 0.634 . . . . 0.0 110.692 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -95.31 109.52 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.538 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.05 116.3 0.68 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.405 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.19 -62.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.36 111.14 47.11 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.561 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -94.72 11.81 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.971 2.447 . . . . 0.0 112.321 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 58.4 m 57.83 82.01 0.14 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.585 0.707 . . . . 0.0 109.686 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -110.02 132.32 54.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 123.474 0.71 . . . . 0.0 111.814 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.2 32.54 20.44 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.952 0.783 . . . . 0.0 111.282 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.47 0.54 5.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.111 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 p -54.61 -43.43 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.803 0.811 . . . . 0.0 110.014 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.3 m -146.21 83.01 8.73 Favored Pre-proline 0 C--N 1.306 -1.309 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.641 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.7 -37.98 91.46 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.525 2.817 . . . . 0.0 111.96 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.11 105.04 1.92 Allowed Glycine 0 CA--C 1.507 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.74 -19.22 60.44 Favored Glycine 0 C--O 1.238 0.39 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -101.63 134.58 44.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 123.733 0.313 . . . . 0.0 110.901 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . 0.421 ' HB2' HD11 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.427 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.427 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.407 ' O ' HD13 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.663 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.478 HG23 HG21 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.478 HG21 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.663 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.439 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.474 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.474 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.495 ' N ' HD21 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.551 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.418 HD13 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -170.67 -177.29 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.152 0.581 . . . . 0.0 110.983 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 m -118.87 92.24 3.76 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.79 14.47 7.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.902 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -66.15 81.34 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.947 0.404 . . . . 0.0 110.642 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.05 137.42 32.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -162.71 108.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.66 0.384 . . . . 0.0 111.329 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -93.48 144.05 25.72 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.24 70.67 0.28 Allowed Glycine 0 CA--C 1.505 -0.557 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.867 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.38 -173.39 3.05 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.016 0.436 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.05 134.84 10.16 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -95.91 25.3 0.3 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.476 2.118 . . . . 0.0 112.165 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -60.9 97.66 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.804 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -120.59 87.5 2.76 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.43 123.17 38.83 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.384 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.22 116.14 30.54 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -56.08 95.44 0.02 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.494 0.664 . . . . 0.0 110.71 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -71.35 113.47 19.69 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.669 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 20.0 Cg_exo -68.25 -24.76 37.4 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.744 2.296 . . . . 0.0 111.811 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.88 -61.11 4.82 Favored Glycine 0 C--O 1.239 0.447 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.88 -118.51 0.9 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 117.274 0.537 . . . . 0.0 112.419 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.38 25.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.55 0.34 . . . . 0.0 110.388 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 161.59 40.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.784 -0.573 . . . . 0.0 110.582 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.466 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.669 ' HB ' ' HA ' ' A' ' 19' ' ' PRO . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.517 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.454 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.615 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.615 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' HG ' HD23 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.529 0.204 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -85.44 13.16 7.08 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 m -143.53 109.3 5.19 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 111.279 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.31 93.14 7.66 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -105.67 140.08 39.28 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.684 0.754 . . . . 0.0 112.601 -173.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.52 149.32 46.67 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -144.72 35.08 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 123.147 0.28 . . . . 0.0 110.832 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.22 44.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.68 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.234 -0.759 . . . . 0.0 111.266 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 74.68 -43.01 0.51 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.893 0.877 . . . . 0.0 112.678 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 58.1 82.76 0.23 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -91.91 4.19 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.618 2.879 . . . . 0.0 112.045 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -79.4 132.68 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.218 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -162.31 166.51 25.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 122.902 0.481 . . . . 0.0 109.905 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.99 -79.42 0.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 124.374 1.046 . . . . 0.0 110.23 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.5 -51.05 0.7 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.7 t -52.37 113.1 0.94 Allowed 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.51 0.506 . . . . 0.0 110.717 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.6 p -150.9 119.31 3.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.302 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.49 105.95 0.81 Allowed 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.342 2.695 . . . . 0.0 111.639 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.5 18.8 10.83 Favored Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.67 84.36 0.28 Allowed Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.772 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.04 136.39 43.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.445 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.529 HG22 HG21 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.529 HG21 HG22 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . 0.466 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . 0.406 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.464 ' HB3' HD13 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.456 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.475 HD23 ' HG ' ' A' ' 63' ' ' LEU . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.432 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.0 mtp -67.53 94.58 0.42 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -79.85 -7.9 58.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.15 141.49 47.12 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.113 -0.367 . . . . 0.0 110.99 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -129.82 123.08 30.06 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 124.033 0.833 . . . . 0.0 109.718 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.22 161.21 19.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.532 ' HD3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -128.29 150.69 49.95 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 -176.337 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -85.32 165.16 17.51 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.204 0.602 . . . . 0.0 110.457 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.63 158.57 15.11 Favored Glycine 0 C--N 1.317 -0.503 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.11 178.69 6.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.3 p-10 -141.34 125.64 10.36 Favored Pre-proline 0 C--N 1.321 -0.669 0 O-C-N 123.402 0.439 . . . . 0.0 110.392 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 19.6 Cg_exo -68.0 123.66 10.91 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.457 2.104 . . . . 0.0 111.645 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -90.5 153.68 20.19 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -152.65 144.45 23.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.774 0.671 . . . . 0.0 109.303 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.32 107.04 6.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.16 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.8 142.99 28.89 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.205 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 m -137.05 93.52 2.84 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.714 0.634 . . . . 0.0 109.5 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.471 ' O ' HG11 ' A' ' 40' ' ' VAL . 22.4 p -90.71 112.77 55.11 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 52.1 Cg_exo -53.42 -27.1 38.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.56 2.173 . . . . 0.0 112.276 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.445 ' O ' ' HA2' ' B' ' 29' ' ' GLY . . . 113.19 161.81 14.85 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.677 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.73 -89.44 0.28 Allowed Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.626 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.81 118.09 33.28 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 -122.4 141.46 51.57 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.53 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG21 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' HB3' HG21 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.54 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CD2' HD11 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.51 ' HB3' HD13 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.648 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' O ' HD21 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.5 HG22 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.648 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -160.66 152.17 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.516 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.3 m -82.13 109.32 16.33 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.922 0.764 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.56 152.97 41.32 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.279 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -155.32 -167.3 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.583 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 128.62 36.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.16 0.287 . . . . 0.0 110.752 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -70.32 126.42 29.61 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.527 0.331 . . . . 0.0 111.57 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.64 -177.39 4.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.086 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.02 45.5 3.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.96 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 8.19 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.335 0.588 . . . . 0.0 111.349 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.08 110.5 13.57 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -89.85 -0.63 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.262 2.641 . . . . 0.0 112.332 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 55.9 m 56.6 90.4 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.576 0.548 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -80.31 42.63 0.59 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.587 0.355 . . . . 0.0 110.593 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -53.48 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 0.0 111.66 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.5 82.32 1.09 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 110.649 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 p -94.61 -30.14 14.5 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.613 0.721 . . . . 0.0 110.073 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -82.42 124.58 77.87 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.82 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.77 -5.71 12.36 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 121.766 1.644 . . . . 0.0 112.237 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 -57.31 0.48 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.54 -17.47 10.55 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.528 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.17 121.76 40.48 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.589 0.694 . . . . 0.0 109.612 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.53 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 20' ' ' GLY . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.506 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.483 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' SER . . . . . 0.468 ' HG ' ' HD2' ' B' ' 38' ' ' PHE . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . 0.468 ' HD2' ' HG ' ' B' ' 34' ' ' SER . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.462 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' THR . . . . . 0.461 HG22 HD22 ' B' ' 61' ' ' ASN . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.697 ' ND2' ' HG2' ' B' ' 62' ' ' LYS . 4.7 p-10 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.697 ' HG2' ' ND2' ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.586 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.586 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ttt -143.71 109.38 5.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 p -65.45 100.56 0.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.93 102.95 4.95 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.137 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.69 -47.48 3.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.269 0.556 . . . . 0.0 110.486 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.09 -175.81 2.34 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.86 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -147.53 173.66 12.48 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 121.197 0.522 . . . . 0.0 111.614 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 tp -134.21 91.27 2.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.581 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.86 43.87 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.73 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.47 52.17 2.3 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.261 0.553 . . . . 0.0 110.061 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.01 124.86 91.17 Favored Pre-proline 0 C--O 1.238 0.454 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.451 -174.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.62 97.39 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.229 1.953 . . . . 0.0 110.534 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -67.22 164.93 17.15 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.121 0.486 . . . . 0.0 110.978 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -80.12 94.1 5.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 -24.81 27.4 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.89 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.66 101.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.718 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -79.61 63.66 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.655 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -152.36 78.98 6.23 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.471 ' HD2' ' O ' ' A' ' 40' ' ' VAL . 62.4 Cg_endo -75.25 -16.51 19.62 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.413 2.075 . . . . 0.0 111.877 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 34.26 87.54 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.396 -0.366 . . . . 0.0 112.96 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.15 169.88 53.23 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.135 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.91 130.57 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.285 1.042 . . . . 0.0 108.518 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 157.45 45.53 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 122.407 -0.183 . . . . 0.0 110.825 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.598 HG21 HG22 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.51 HG21 HG23 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 HG21 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' HD2' HD13 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.444 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 22.7 mmt 58.32 -172.54 0.1 Allowed 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -69.0 124.35 23.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.234 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.43 -57.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -73.5 -34.64 65.39 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.999 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.68 97.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.95 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -168.35 155.24 7.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.56 78.43 4.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.475 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.73 -39.7 97.79 Favored Glycine 0 C--N 1.319 -0.371 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.62 2.87 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.113 -1.043 . . . . 0.0 109.177 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.878 ' HB3' ' HB2' ' B' ' 14' ' ' GLN . 10.3 t70 -56.48 133.96 76.96 Favored Pre-proline 0 C--O 1.238 0.448 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.24 -34.67 40.76 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.703 2.269 . . . . 0.0 114.269 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -113.96 17.04 18.15 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.191 0.519 . . . . 0.0 110.885 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.878 ' HB2' ' HB3' ' B' ' 11' ' ' ASP . 35.7 tt0 -68.16 92.17 0.39 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.368 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.61 38.28 0.84 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 116.55 1.22 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.618 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -133.31 118.52 18.61 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.516 0.51 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -135.39 79.62 48.1 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.27 -161.64 0.15 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.765 2.977 . . . . 0.0 111.941 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.2 24.63 Favored Glycine 0 CA--C 1.51 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.493 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.32 -64.91 1.02 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.946 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.89 144.66 29.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.598 HG22 HG21 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.471 ' O ' HG22 ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.567 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.567 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.447 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' TYR . . . . . 0.555 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.447 HD11 HD11 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . 0.418 HD11 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LYS . . . . . 0.418 ' O ' HD11 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.447 HD11 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.426 ' O ' HD13 ' B' ' 55' ' ' LEU . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 64' ' ' ILE . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.491 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 19.2 tm0? -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.486 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.486 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.439 ' HB3' HG12 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.552 HG23 HG23 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.552 HG23 HG23 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.52 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.427 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.64 HD13 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.64 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.696 -0.113 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB3' HG23 ' A' ' 28' ' ' VAL . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 33' ' ' ASP . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 32' ' ' ILE . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.569 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG23 HG23 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 51' ' ' ASP . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 58' ' ' THR . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.56 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 56' ' ' ARG . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.465 HH21 HG12 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.465 HG12 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.532 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.532 HD12 ' C ' ' B' ' 26' ' ' SER . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.432 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 41' ' ' ASP . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.653 ' H ' HG23 ' B' ' 40' ' ' VAL . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.55 ' HD2' HD11 ' B' ' 65' ' ' LEU . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.555 ' N ' HD23 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.518 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.579 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.579 ' N ' HD13 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' ILE . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 39' ' ' THR . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.459 HH21 HD23 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.734 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.526 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.449 ' O ' HG22 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.469 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' B' ' 44' ' ' ILE . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.437 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.469 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.807 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.45 HD12 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.45 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.807 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.473 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.425 ' C ' HD12 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.52 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HG ' ' B' ' 55' ' ' LEU . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' HZ ' ' B' ' 38' ' ' PHE . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' B' ' 59' ' ' SER . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.438 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.449 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.43 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' C ' HD12 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 HG23 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.657 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' HG23 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.748 0.309 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.744 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.744 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.639 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.639 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.571 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.565 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.565 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' B' ' 65' ' ' LEU . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.511 ' HB2' HG23 ' B' ' 66' ' ' THR . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.443 HD11 HD12 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.443 HD12 HD11 ' B' ' 55' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.608 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.608 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD13 ' B' ' 27' ' ' ILE . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 27' ' ' ILE . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.542 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.9 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.654 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 27' ' ' ILE . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.443 ' C ' HD12 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.484 HD11 HD12 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.484 HD12 HD11 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.539 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.411 ' HB3' HD11 ' B' ' 65' ' ' LEU . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 53' ' ' TYR . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.552 HH21 HD11 ' A' ' 44' ' ' ILE . 25.6 ptt-85 . . . . . 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 25' ' ' VAL . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HB3' HG23 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.552 HD11 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HH11 ' A' ' 52' ' ' ARG . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 51' ' ' ASP . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 50' ' ' ASP . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HB2' ' A' ' 47' ' ' ALA . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.41 ' N ' HD23 ' A' ' 57' ' ' LEU . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.551 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 37' ' ' LEU . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 25' ' ' VAL . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.499 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.499 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.485 HD11 HD12 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 56' ' ' ARG . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' HD11 ' B' ' 57' ' ' LEU . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HD2' HD11 ' A' ' 65' ' ' LEU . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.462 HD11 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.507 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' B' ' 39' ' ' THR . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 25' ' ' VAL . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' B' ' 44' ' ' ILE . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.506 HG23 HG22 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.506 HG22 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' HIS . . . . . 0.462 ' CE1' HD11 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' B' ' 65' ' ' LEU . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' B' ' 64' ' ' ILE . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.431 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.44 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 HG21 HD11 ' B' ' 63' ' ' LEU . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 56' ' ' ARG . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 54' ' ' ARG . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.509 ' OE1' ' HA ' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.575 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.507 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.584 HG23 HG23 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.575 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.492 HD23 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.492 ' N ' HD23 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.494 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.622 0.249 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 HG23 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.594 ' HB3' HD21 ' A' ' 65' ' ' LEU . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 64' ' ' ILE . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 62' ' ' LYS . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.484 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.59 HG23 HG23 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.59 HG23 HG23 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.505 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.525 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.458 ' O ' HD23 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 26' ' ' SER . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 27' ' ' ILE . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 HG11 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 58' ' ' THR . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.416 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 8.4 t-20 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' B' ' 31' ' ' GLN . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.455 HG22 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.682 HG11 HG21 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 56' ' ' ARG . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.55 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.469 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.53 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 . . . . . 0 C--O 1.233 0.236 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' HD12 ' A' ' 27' ' ' ILE . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' ILE . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 44' ' ' ILE . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 41' ' ' ASP . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' H ' HG13 ' A' ' 40' ' ' VAL . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 38' ' ' PHE . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.643 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 63' ' ' LEU . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.526 HG22 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' A' ' 44' ' ' ILE . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.474 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.474 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' B' ' 44' ' ' ILE . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 41' ' ' ASP . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 40' ' ' VAL . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.477 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.414 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.478 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH2' HG23 ' A' ' 40' ' ' VAL . 6.7 ptp180 . . . . . 0 C--O 1.238 0.492 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' HB3' HD21 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB2' HG23 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.614 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.578 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.509 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 63' ' ' LEU . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.464 ' C ' HD12 ' A' ' 27' ' ' ILE . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 28' ' ' VAL . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.516 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.48 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.461 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.467 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.596 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 67' ' ' LYS . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' HB3' HG23 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 41' ' ' ASP . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 40' ' ' VAL . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.542 ' HB2' HG23 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 58' ' ' THR . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.523 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 7.6 p30 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.523 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.568 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.491 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.491 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.512 ' HB3' HG23 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.409 ' HB ' HG13 ' B' ' 27' ' ' ILE . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.564 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.564 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.436 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.52 HG23 HG23 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.602 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.648 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.602 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 HD13 ' B' ' 27' ' ' ILE . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.41 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 33' ' ' ASP . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 32' ' ' ILE . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.555 HG23 HG23 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 62' ' ' LYS . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 57' ' ' LEU . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 53' ' ' TYR . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.45 0.167 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 27' ' ' ILE . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.448 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 41' ' ' ASP . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' B' ' 67' ' ' LYS . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.441 ' N ' HD23 ' B' ' 63' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' B' ' 53' ' ' TYR . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' HB2' HD13 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.691 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 HG23 ' A' ' 39' ' ' THR . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HD2' HD11 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 64' ' ' ILE . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD23 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' A' ' 61' ' ' ASN . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' H ' ' H ' ' A' ' 60' ' ' GLN . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.501 0 CA-C-O 120.712 0.291 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 27' ' ' ILE . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ILE . . . . . 0.477 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASN . . . . . 0.438 ' HB2' HD13 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.414 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.4 ' O ' HD11 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PHE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.505 HG23 HG22 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.673 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.471 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' B' ' 61' ' ' ASN . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' B' ' 60' ' ' GLN . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.425 ' H ' ' HG1' ' B' ' 58' ' ' THR . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.561 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.53 0.205 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.467 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' B' ' 48' ' ' HIS . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.629 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 28' ' ' VAL . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.467 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.549 HG23 HG23 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.549 HG23 HG23 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' NH1' ' B' ' 52' ' ' ARG . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' HIS . . . . . 0.409 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' B' ' 47' ' ' ALA . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.497 ' HB3' HD11 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' ' 53' ' ' TYR . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HB3' HG23 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 33' ' ' ASP . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG23 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB3' HD11 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 41' ' ' ASP . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 40' ' ' VAL . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.455 ' HB2' HG23 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.546 ' OD1' ' HG2' ' B' ' 62' ' ' LYS . 3.7 p30 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.546 ' HG2' ' OD1' ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.63 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.63 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.311 0.101 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HB ' ' A' ' 32' ' ' ILE . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.644 ' HD2' HD11 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 64' ' ' ILE . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.581 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' TYR . . . . . 0.596 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' B' ' 64' ' ' ILE . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.493 HD12 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' B' ' 53' ' ' TYR . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.596 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 tpt -62.57 135.7 57.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.942 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 p -110.85 114.35 27.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.747 0.819 . . . . 0.0 110.498 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.93 98.43 1.33 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 120.859 0.361 . . . . 0.0 111.947 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -92.76 112.86 24.97 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 120.979 0.419 . . . . 0.0 110.181 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.79 143.71 57.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.246 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 7' ' ' ARG . 9.0 ptm85 -130.0 7.62 5.13 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.74 94.47 7.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.075 0.941 . . . . 0.0 110.861 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.62 36.66 2.25 Favored Glycine 0 C--N 1.336 0.532 0 O-C-N 121.247 -0.908 . . . . 0.0 112.786 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.49 89.78 1.69 Allowed 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.863 0.84 . . . . 0.0 110.094 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.69 123.94 80.11 Favored Pre-proline 0 N--CA 1.455 -0.212 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.53 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.86 60.54 5.35 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.514 2.809 . . . . 0.0 111.964 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -62.68 -33.23 74.65 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.128 0.489 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -75.63 119.67 19.99 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.642 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.76 132.61 29.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.528 0.331 . . . . 0.0 111.619 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.63 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.22 0.95 . . . . 0.0 111.564 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.2 m 57.0 25.34 10.58 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.556 0.693 . . . . 0.0 111.004 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.4 m -119.41 88.97 39.44 Favored Pre-proline 0 C--O 1.237 0.426 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.689 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.14 152.55 24.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.568 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 43.74 1.26 Allowed Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 113.267 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.97 -53.51 29.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -85.64 103.81 14.8 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 171.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.491 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 -95.55 122.55 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.886 0.474 . . . . 0.0 110.614 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 19.2 tm0? -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.486 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.486 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 41.9 ttp 71.24 100.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.224 0.609 . . . . 0.0 111.664 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -75.86 78.88 2.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.046 0.926 . . . . 0.0 109.745 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.19 121.58 23.84 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.711 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 88.18 4.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.568 . . . . 0.0 109.874 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.08 -8.97 11.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.049 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -123.0 100.09 6.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.411 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.445 ' N ' HD23 ' B' ' 8' ' ' LEU . 2.0 pt? -160.24 134.45 7.35 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.599 0.562 . . . . 0.0 110.703 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.54 65.09 3.86 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -27.03 68.8 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.233 0.613 . . . . 0.0 111.956 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.92 120.05 50.34 Favored Pre-proline 0 C--O 1.238 0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.74 -26.17 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.852 2.368 . . . . 0.0 111.575 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -167.27 -174.18 2.51 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 123.974 0.796 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -132.27 85.25 2.22 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.972 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.56 106.16 15.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.89 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 89.05 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 m -79.08 86.38 4.92 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -117.82 98.18 51.4 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.567 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.08 77.29 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.799 1.666 . . . . 0.0 110.777 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.57 -32.27 77.63 Favored Glycine 0 C--O 1.241 0.593 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.433 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.7 24.65 4.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.715 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -91.55 104.88 17.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.439 ' HB3' HG12 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.552 HG23 HG23 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.552 HG23 HG23 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.52 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.427 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.64 HD13 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.64 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 2' ' ' MET . 23.0 mmt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 1.4 mpt? -133.7 88.31 2.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 124.062 0.852 . . . . 0.0 109.231 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -74.93 153.49 38.58 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.984 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 112.95 16.49 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 122.782 0.433 . . . . 0.0 111.012 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -62.68 129.76 41.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.86 0.464 . . . . 0.0 110.36 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.78 156.53 20.22 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.376 0.27 . . . . 0.0 111.267 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -150.31 -171.43 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.22 -176.24 3.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.313 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.6 25.09 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.702 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.47 56.92 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.808 0.813 . . . . 0.0 110.184 174.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.8 147.64 55.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.109 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.63 125.5 10.1 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.975 1.784 . . . . 0.0 112.699 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 p -86.32 10.12 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.041 0.536 . . . . 0.0 110.483 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -57.82 137.19 56.86 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.475 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.49 141.89 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.177 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.05 115.53 29.18 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 32.3 t -82.57 -169.97 2.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.843 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 m -108.62 94.03 13.2 Favored Pre-proline 0 C--O 1.244 0.767 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 17' ' ' SER . 11.3 Cg_exo -70.7 146.69 55.02 Favored 'Trans proline' 0 C--O 1.244 0.793 0 C-N-CA 122.946 2.43 . . . . 0.0 110.568 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.26 -97.93 1.72 Allowed Glycine 0 C--O 1.241 0.533 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.649 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.29 138.01 3.05 Favored Glycine 0 C--O 1.22 -0.747 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.69 102.39 15.08 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 122.365 -0.491 . . . . 0.0 111.696 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -89.68 147.1 24.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.696 170.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB3' HG23 ' A' ' 28' ' ' VAL . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 33' ' ' ASP . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 32' ' ' ILE . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.569 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG23 HG23 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 51' ' ' ASP . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 58' ' ' THR . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.56 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 56' ' ' ARG . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 C--O 1.239 0.509 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -167.8 25.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.773 0.796 . . . . 0.0 110.0 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -61.93 93.99 0.05 OUTLIER 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.588 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.0 78.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.314 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -109.35 90.27 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -149.93 113.82 5.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.315 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -152.68 118.94 5.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.788 0.435 . . . . 0.0 111.277 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -163.45 159.12 21.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.328 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.47 67.8 0.53 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 87.64 0.25 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.996 0.398 . . . . 0.0 110.353 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -110.65 122.33 38.61 Favored Pre-proline 0 C--N 1.32 -0.7 0 O-C-N 124.318 1.011 . . . . 0.0 110.105 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.4 -18.31 12.45 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.184 2.589 . . . . 0.0 113.858 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m 57.17 38.21 28.8 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.34 1.025 . . . . 0.0 110.109 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -78.77 108.96 12.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.89 -62.89 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.861 0.464 . . . . 0.0 110.284 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.41 78.32 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.518 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -78.33 125.4 29.3 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.021 0.528 . . . . 0.0 110.008 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -154.96 112.45 2.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 123.087 0.242 . . . . 0.0 110.844 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 142.78 26.84 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.988 2.459 . . . . 0.0 111.915 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.37 7.8 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 87.2 0.31 Allowed Glycine 0 C--O 1.243 0.663 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.47 35.26 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.077 -0.66 . . . . 0.0 109.386 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.465 HH21 HG12 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.465 HG12 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.532 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.432 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 41' ' ' ASP . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.653 ' H ' HG23 ' B' ' 40' ' ' VAL . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.55 ' HD2' HD11 ' B' ' 65' ' ' LEU . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.555 ' N ' HD23 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.518 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.579 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.579 ' N ' HD13 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.502 0.191 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ttt -156.71 85.57 0.97 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -92.35 -10.73 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.47 88.76 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.729 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -158.97 31.22 0.21 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.146 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.42 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 21.7 t70 -65.71 153.72 40.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.022 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -85.82 90.28 8.0 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.9 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.89 108.94 14.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.469 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.69 101.39 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.54 125.67 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -111.95 109.29 55.01 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.852 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.3 122.71 8.58 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.139 2.559 . . . . 0.0 111.662 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 t -73.17 95.35 2.07 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.906 0.86 . . . . 0.0 109.78 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -96.63 -178.78 4.37 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.279 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 66.51 11.39 8.04 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.635 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.2 88.5 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -81.92 119.7 24.28 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.206 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -78.41 117.01 63.73 Favored Pre-proline 0 N--CA 1.456 -0.161 0 CA-C-O 120.97 0.414 . . . . 0.0 111.026 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.36 107.08 1.51 Allowed 'Trans proline' 0 C--O 1.242 0.72 0 C-N-CA 122.37 2.046 . . . . 0.0 111.145 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.82 81.74 0.18 Allowed Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.99 60.46 0.58 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.01 126.95 33.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.397 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 -116.65 131.91 56.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' ILE . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 20' ' ' GLY . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 39' ' ' THR . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.459 HH21 HD23 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.734 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.555 0.217 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' B' ' 2' ' ' MET . 1.1 mpt? -66.15 108.22 2.19 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.486 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 49.7 m -71.8 92.94 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.41 126.35 5.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.267 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -151.8 108.47 3.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -128.96 154.14 46.86 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.187 0.518 . . . . 0.0 111.069 -173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -174.8 85.01 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.705 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.511 ' O ' HD12 ' B' ' 8' ' ' LEU . 2.8 pp -65.75 143.9 57.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.104 -177.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.2 76.74 1.3 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 8' ' ' LEU . . . -83.24 17.59 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 0.0 111.72 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -89.69 113.29 56.25 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -84.57 13.86 2.62 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.562 2.841 . . . . 0.0 111.798 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -36.77 98.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.393 -173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -145.84 96.7 2.85 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.06 74.38 0.65 Allowed 'General case' 0 C--O 1.252 1.211 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.984 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.34 82.08 0.76 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.18 0.514 . . . . 0.0 110.055 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -109.19 62.15 0.6 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.964 0.888 . . . . 0.0 109.089 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 20.4 m -65.53 133.45 95.26 Favored Pre-proline 0 C--O 1.24 0.575 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.236 -175.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 18' ' ' SER . 32.5 Cg_exo -58.56 91.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.241 0.664 0 C-N-CA 123.04 2.493 . . . . 0.0 110.889 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -81.89 117.95 4.52 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.944 -174.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.64 97.05 0.91 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.798 -0.239 . . . . 0.0 112.864 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 119.33 27.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.526 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.449 ' O ' HG22 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.469 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' B' ' 44' ' ' ILE . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.437 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.469 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.807 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.45 HD12 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.45 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.807 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -65.76 101.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.163 0.289 . . . . 0.0 110.606 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.9 m -77.83 103.82 8.0 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 122.716 0.406 . . . . 0.0 109.92 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.95 -13.09 61.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -63.85 94.82 0.1 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.703 0.627 . . . . 0.0 110.337 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -122.65 164.47 18.18 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -78.53 -17.53 56.06 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.278 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt 68.62 -71.58 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.454 0.702 . . . . 0.0 110.872 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.2 41.79 99.54 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.79 7.75 41.65 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 124.235 0.609 . . . . 0.0 111.622 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.6 m-20 -61.82 125.98 86.11 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.789 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 40.1 Cg_exo -59.12 152.65 57.75 Favored 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 122.786 2.324 . . . . 0.0 112.389 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 m -89.81 112.78 24.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.03 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.53 101.59 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.903 0.752 . . . . 0.0 109.598 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.9 108.6 19.81 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.477 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.56 135.43 35.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.9 m -58.36 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.156 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 p -87.55 103.53 4.86 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 17' ' ' SER . 43.8 Cg_endo -92.1 171.92 2.56 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.462 2.108 . . . . 0.0 114.017 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.38 123.77 1.33 Allowed Glycine 0 C--O 1.239 0.407 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.81 92.56 0.39 Allowed Glycine 0 C--O 1.222 -0.602 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.255 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.06 35.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.929 0.492 . . . . 0.0 110.522 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 -115.94 142.25 47.03 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.484 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.473 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.2 ttt 178.54 115.14 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -70.49 74.23 0.54 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.441 0.638 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.25 95.11 9.08 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.768 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -71.0 85.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.539 0.525 . . . . 0.0 109.995 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.27 120.02 23.15 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -156.77 149.24 23.37 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 123.598 0.561 . . . . 0.0 110.554 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.73 169.75 8.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.016 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.85 58.55 0.36 Allowed Glycine 0 CA--C 1.507 -0.419 0 CA-C-N 116.515 -0.311 . . . . 0.0 112.685 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.62 89.46 3.08 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 110.611 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 119.78 78.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -52.75 -47.97 24.52 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.238 1.959 . . . . 0.0 112.155 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m 73.55 -59.07 0.57 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.668 0.787 . . . . 0.0 111.005 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 67.62 105.7 0.05 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.092 0.557 . . . . 0.0 111.734 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.12 119.14 17.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.636 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.21 146.3 25.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.317 0.579 . . . . 0.0 110.093 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -154.54 96.33 1.89 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.364 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -115.97 99.94 53.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.767 0.667 . . . . 0.0 110.345 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.99 50.41 3.35 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.257 2.638 . . . . 0.0 110.267 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.94 55.04 4.76 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-O 121.8 0.667 . . . . 0.0 113.037 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.13 106.46 2.68 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.255 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.57 112.34 24.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.238 0.615 . . . . 0.0 109.522 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.425 ' C ' HD12 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.52 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HG ' ' B' ' 55' ' ' LEU . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' HZ ' ' B' ' 38' ' ' PHE . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' B' ' 59' ' ' SER . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.438 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.449 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.43 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -169.32 70.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.199 0.523 . . . . 0.0 110.33 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -76.56 89.17 3.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.66 78.94 4.16 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -84.71 57.7 4.52 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.731 0.777 . . . . 0.0 110.462 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.57 150.45 32.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.404 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -152.12 147.39 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.79 -175.01 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.86 66.15 0.85 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.227 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.67 -28.49 15.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.202 0.525 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.53 145.15 50.62 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.03 81.92 1.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.661 2.24 . . . . 0.0 112.95 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -83.7 80.12 9.23 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -172.51 155.32 3.37 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.084 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.53 73.05 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.21 0.529 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.41 168.7 19.58 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.224 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.6 m -70.18 80.95 0.52 Allowed 'General case' 0 C--O 1.245 0.853 0 CA-C-O 120.807 0.336 . . . . 0.0 111.564 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -155.2 82.75 3.88 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.549 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.08 173.28 11.1 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.53 2.153 . . . . 0.0 113.321 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.79 -22.65 16.57 Favored Glycine 0 C--O 1.236 0.278 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.172 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.3 -140.8 34.47 Favored Glycine 0 C--O 1.239 0.463 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.23 110.28 21.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 -112.37 133.62 54.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' C ' HD12 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 17' ' ' SER . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 HG23 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.657 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' HG23 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.2 ttp -68.38 143.64 55.04 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.735 0.647 . . . . 0.0 110.503 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -66.41 95.3 0.31 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.88 132.55 36.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -66.8 86.58 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.26 117.38 19.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.083 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.09 157.34 9.51 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -105.52 158.21 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.55 54.29 4.34 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.15 153.19 21.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.206 0.602 . . . . 0.0 110.826 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.51 123.22 73.07 Favored Pre-proline 0 N--CA 1.468 0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.502 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.63 -23.07 30.96 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.943 1.762 . . . . 0.0 112.513 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 8.5 t -137.58 130.1 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.199 0.523 . . . . 0.0 110.311 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -83.6 124.52 30.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.245 0.545 . . . . 0.0 109.764 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.591 ' HB2' HH21 ' B' ' 54' ' ' ARG . . . -63.57 -57.1 11.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.47 76.28 0.2 Allowed 'General case' 0 C--O 1.248 0.988 0 O-C-N 124.192 0.932 . . . . 0.0 111.327 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.417 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 42.4 m -60.05 -13.74 13.13 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.839 -174.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m 70.71 120.51 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.827 0.851 . . . . 0.0 112.281 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.8 114.35 3.31 Favored 'Trans proline' 0 C--O 1.239 0.533 0 C-N-CA 123.168 2.579 . . . . 0.0 111.439 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.91 -170.46 53.91 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.26 51.19 6.25 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -78.55 129.21 34.57 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.026 -0.587 . . . . 0.0 111.18 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.744 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.744 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.639 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.639 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.571 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.565 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.565 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' B' ' 65' ' ' LEU . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' B' ' 15' ' ' ALA . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.443 HD11 HD12 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.443 HD12 HD11 ' B' ' 55' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.608 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.608 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 120.766 0.317 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -151.25 163.14 39.57 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.1 m -71.37 80.59 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.454 0.645 . . . . 0.0 109.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.94 99.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.72 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -72.88 75.16 1.16 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.12 133.72 33.86 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.221 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -141.81 92.03 2.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.396 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.39 158.3 36.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.848 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 80.29 0.38 Allowed Glycine 0 C--O 1.242 0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.358 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 54.91 1.89 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.179 0.514 . . . . 0.0 110.209 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -80.46 128.58 72.07 Favored Pre-proline 0 N--CA 1.445 -0.7 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.441 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.94 110.05 0.92 Allowed 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.246 1.964 . . . . 0.0 112.131 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.8 m -83.39 116.32 22.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.448 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.79 73.36 1.56 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.647 0.737 . . . . 0.0 109.898 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.07 110.51 19.0 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.022 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.31 123.85 20.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.229 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -71.21 104.47 3.11 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.877 0.736 . . . . 0.0 109.846 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 p -66.95 116.55 36.64 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 116.873 -0.148 . . . . 0.0 111.255 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 119.2 5.55 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.719 2.279 . . . . 0.0 111.653 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.63 -168.84 41.39 Favored Glycine 0 C--O 1.237 0.282 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.647 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.03 -112.82 4.19 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.23 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.33 155.55 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 111.334 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.78 153.18 45.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.359 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD13 ' B' ' 27' ' ' ILE . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 27' ' ' ILE . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' B' ' 20' ' ' GLY . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.542 ' HB3' HG23 ' A' ' 28' ' ' VAL . 21.9 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.654 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ttt -91.88 72.87 5.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.462 ' O ' HG23 ' B' ' 3' ' ' THR . 8.9 t -93.25 84.6 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.017 0.913 . . . . 0.0 109.844 177.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.85 116.63 1.95 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.4 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -117.95 75.3 0.99 Allowed 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.941 0.877 . . . . 0.0 108.97 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.36 113.25 5.77 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.673 -174.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -87.23 96.27 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.905 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -106.09 100.16 9.72 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.384 0.428 . . . . 0.0 110.332 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.83 39.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 128.0 53.87 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.616 0.245 . . . . 0.0 110.895 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.8 135.35 21.63 Favored Pre-proline 0 CA--C 1.531 0.231 0 O-C-N 123.416 0.447 . . . . 0.0 109.811 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -51.02 -37.84 57.87 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.051 2.5 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m 59.66 81.51 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.084 0.865 . . . . 0.0 111.015 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -138.99 124.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.426 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.42 75.17 10.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 108.16 4.11 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.984 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -152.39 110.87 3.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.531 . . . . 0.0 109.818 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' B' ' 19' ' ' PRO . 39.9 t -110.64 104.02 55.29 Favored Pre-proline 0 C--O 1.244 0.777 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' SER . 29.0 Cg_endo -61.68 90.15 0.1 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 122.376 2.051 . . . . 0.0 112.83 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -71.48 -66.14 2.22 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.22 4.06 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.611 -0.328 . . . . 0.0 112.798 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.42 125.73 46.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 27' ' ' ILE . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.443 ' C ' HD12 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.484 HD11 HD12 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.484 HD12 HD11 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.539 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.411 ' HB3' HD11 ' B' ' 65' ' ' LEU . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 53' ' ' TYR . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.8 mtp -94.3 92.66 7.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.32 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -104.28 167.27 9.86 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.462 0.305 . . . . 0.0 110.496 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.21 110.33 4.53 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -77.15 -10.48 59.42 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -52.11 115.58 1.78 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 35.4 ptt180 -85.8 26.85 0.92 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.19 -178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 6.9 mp 67.0 20.91 10.39 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 91.88 0.36 Allowed Glycine 0 C--O 1.223 -0.546 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.539 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.12 147.45 28.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.06 93.53 30.53 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.51 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -97.04 1.84 1.71 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.417 2.745 . . . . 0.0 113.423 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 13' ' ' THR . 8.6 t -72.26 106.68 4.53 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.47 0.652 . . . . 0.0 111.493 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -158.7 113.44 2.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.79 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.86 110.69 15.75 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 107.35 0.29 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.238 0.962 . . . . 0.0 110.807 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 m -63.94 102.8 0.51 Allowed 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.131 0.894 . . . . 0.0 110.263 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 p -69.02 122.92 86.91 Favored Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.582 0.551 . . . . 0.0 110.987 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.91 -163.81 0.23 Allowed 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.94 2.427 . . . . 0.0 112.699 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.49 -149.46 19.39 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.52 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.51 176.2 45.86 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 122.3 41.92 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.44 -1.035 . . . . 0.0 109.485 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.552 HH21 HD11 ' A' ' 44' ' ' ILE . 25.6 ptt-85 -124.27 139.52 53.84 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 25' ' ' VAL . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HB3' HG23 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.552 HD11 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HH11 ' A' ' 52' ' ' ARG . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 51' ' ' ASP . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 50' ' ' ASP . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HB2' ' A' ' 47' ' ' ALA . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.41 ' N ' HD23 ' A' ' 57' ' ' LEU . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -146.56 102.86 3.62 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 3' ' ' THR . 7.5 t -150.03 93.45 2.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.172 0.987 . . . . 0.0 109.315 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.7 12.91 35.36 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.54 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -101.52 110.63 22.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.118 0.485 . . . . 0.0 110.366 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.17 101.22 10.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.459 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.09 149.06 10.3 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -172.32 103.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 -160.46 28.26 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.174 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.06 139.15 0.8 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 123.49 0.716 . . . . 0.0 110.017 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.23 86.35 54.23 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-O 120.856 0.36 . . . . 0.0 110.799 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -97.84 4.18 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.892 2.395 . . . . 0.0 111.618 167.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 25.9 m -60.58 134.22 56.86 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.566 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 177.25 8.51 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.974 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.47 105.01 8.33 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.805 0.336 . . . . 0.0 110.307 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.99 -12.65 38.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.428 0.632 . . . . 0.0 110.799 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -127.87 106.88 9.41 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -143.99 88.42 7.59 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -87.59 -170.2 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.182 1.921 . . . . 0.0 112.433 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.39 95.02 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.259 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.2 164.85 14.14 Favored Glycine 0 C--O 1.239 0.441 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.14 120.8 41.36 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.551 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 37' ' ' LEU . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.2 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 25' ' ' VAL . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.499 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.499 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.485 HD11 HD12 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 56' ' ' ARG . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 C--O 1.256 1.443 0 CA-C-O 121.815 0.817 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.5 ' HG3' HG23 ' A' ' 3' ' ' THR . 26.4 ptt? -86.94 -41.14 14.18 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.752 -0.593 . . . . 0.0 110.02 -177.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 2' ' ' MET . 36.6 p -110.0 83.66 1.79 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 8' ' ' LEU . . . -95.46 -16.12 22.46 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.96 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -55.92 115.07 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.982 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 t70 75.73 -37.06 0.31 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.913 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 3.2 tpm_? -65.61 -57.46 8.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 4' ' ' ALA . 6.9 mp -94.16 109.5 21.28 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.3 -34.75 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.538 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.25 106.97 1.19 Allowed 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.66 142.19 43.39 Favored Pre-proline 0 C--O 1.239 0.549 0 C-N-CA 122.23 0.212 . . . . 0.0 111.499 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.44 24.41 0.73 Allowed 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 124.153 3.235 . . . . 0.0 111.822 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -83.35 26.75 0.63 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.628 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -75.25 81.69 2.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.3 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.9 -39.7 1.76 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.6 35.13 0.4 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.296 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 m -62.1 120.0 10.03 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.229 0.612 . . . . 0.0 111.148 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 p -159.4 101.53 1.53 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.776 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 18' ' ' SER . 20.4 Cg_endo -60.67 -40.5 54.84 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.825 2.35 . . . . 0.0 111.524 175.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.09 118.84 4.53 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.167 0.427 . . . . 0.0 114.167 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.67 158.25 28.37 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -111.95 125.82 54.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 119.556 1.678 . . . . 0.0 108.954 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -146.59 157.09 43.66 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' HD11 ' B' ' 57' ' ' LEU . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HD2' HD11 ' A' ' 65' ' ' LEU . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.462 HD11 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.507 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 23.6 ttt -163.46 110.81 1.18 Allowed 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.481 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -160.77 164.31 31.61 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.73 0.644 . . . . 0.0 110.247 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.31 0.63 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.177 0.923 . . . . 0.0 110.509 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -82.73 148.52 27.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.81 0.814 . . . . 0.0 110.525 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -108.38 97.1 6.83 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -94.26 0.32 55.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 122.703 1.24 . . . . 0.0 111.057 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.492 HD12 ' N ' ' B' ' 8' ' ' LEU . 4.9 mp -90.72 -6.95 53.77 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 121.425 -0.797 . . . . 0.0 110.744 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.21 7.78 43.16 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 116.427 -0.351 . . . . 0.0 113.202 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.38 109.94 2.91 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 122.125 -0.633 . . . . 0.0 110.61 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -114.28 85.58 10.77 Favored Pre-proline 0 C--O 1.239 0.502 0 CA-C-O 121.421 0.629 . . . . 0.0 110.23 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -88.77 -2.13 6.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.273 2.649 . . . . 0.0 112.603 -177.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m 56.15 73.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -120.79 92.68 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.999 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 105.9 0.39 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.34 81.24 0.37 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.45 0.643 . . . . 0.0 110.48 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -152.1 56.88 0.84 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.199 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -59.99 148.9 76.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.247 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.28 74.25 0.78 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.171 1.914 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.74 -67.67 3.34 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.03 -158.67 51.73 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.886 -1.285 . . . . 0.0 109.886 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -112.7 124.99 53.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 118.121 0.96 . . . . 0.0 109.601 174.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' B' ' 39' ' ' THR . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 25' ' ' VAL . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' B' ' 44' ' ' ILE . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.506 HG23 HG22 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.506 HG22 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' HIS . . . . . 0.462 ' CE1' HD11 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' B' ' 65' ' ' LEU . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' B' ' 64' ' ' ILE . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.431 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.44 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -89.49 124.07 34.18 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 123.319 0.648 . . . . 0.0 110.726 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 t -144.84 135.37 24.42 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.67 0.272 . . . . 0.0 110.677 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.04 116.34 20.94 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -148.05 148.63 30.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.72 108.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' LEU . 40.7 ttp180 -90.7 110.81 21.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.488 HD13 ' HG2' ' A' ' 7' ' ' ARG . 9.0 mp 62.16 88.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.163 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.63 117.62 0.96 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.7 166.15 15.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.522 0.201 . . . . 0.0 111.011 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -114.7 102.18 54.71 Favored Pre-proline 0 N--CA 1.473 0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.327 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.71 -178.1 3.15 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.294 1.996 . . . . 0.0 112.461 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -153.68 141.14 19.76 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -86.97 -15.31 39.21 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.05 0.928 . . . . 0.0 110.157 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 110.24 1.85 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.337 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 126.36 27.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.867 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.5 m -65.56 86.23 0.08 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.177 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -106.41 95.9 12.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.387 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 17' ' ' SER . 40.9 Cg_endo -96.44 14.02 0.99 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.641 2.894 . . . . 0.0 112.417 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.4 -172.46 50.3 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 -175.05 29.79 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -103.6 121.65 43.35 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.547 1.173 . . . . 0.0 108.853 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 -131.35 145.19 51.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.386 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG21 HD11 ' B' ' 63' ' ' LEU . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 56' ' ' ARG . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 54' ' ' ARG . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.509 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttm . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.161 0.505 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 ttm -93.24 149.57 21.13 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.238 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m 69.51 22.71 6.26 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.513 0.673 . . . . 0.0 110.424 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.13 16.76 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.627 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -68.37 -4.23 13.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.355 0.662 . . . . 0.0 112.257 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.48 -25.09 50.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.285 -175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -61.15 140.57 57.87 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.013 0.82 . . . . 0.0 111.284 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.49 ' O ' HD12 ' B' ' 8' ' ' LEU . 2.8 pp -142.74 150.06 39.58 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.388 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 16.92 55.57 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.205 -0.521 . . . . 0.0 111.897 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.46 3.29 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.257 0.551 . . . . 0.0 110.717 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -144.57 126.17 7.96 Favored Pre-proline 0 CA--C 1.511 -0.542 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.25 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -55.82 -59.38 0.74 Allowed 'Trans proline' 0 C--O 1.242 0.719 0 C-N-CA 122.782 2.321 . . . . 0.0 112.566 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 70.93 -46.21 0.63 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.503 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.63 89.83 0.07 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 122.19 0.196 . . . . 0.0 110.815 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.02 101.1 12.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 87.39 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.933 0.397 . . . . 0.0 110.836 -176.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -79.03 94.23 5.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 173.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.2 m -111.93 119.67 43.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.955 -170.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.95 -171.23 1.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 121.805 1.67 . . . . 0.0 110.55 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.23 -53.34 46.49 Favored Glycine 0 C--N 1.314 -0.669 0 C-N-CA 121.331 -0.461 . . . . 0.0 113.587 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.36 -166.97 28.06 Favored Glycine 0 N--CA 1.439 -1.163 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -105.58 124.02 48.86 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 117.807 0.803 . . . . 0.0 109.621 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.575 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.584 HG23 HG23 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.575 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.492 HD23 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.492 ' N ' HD23 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.494 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.3 mtp -115.03 119.91 38.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.051 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -144.18 -176.65 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.754 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.46 96.34 0.01 OUTLIER 'General case' 0 C--O 1.243 0.763 0 O-C-N 123.632 0.582 . . . . 0.0 109.973 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 p -96.01 -170.16 2.07 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.334 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.73 81.28 0.61 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 122.086 0.154 . . . . 0.0 110.859 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -127.9 89.84 3.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.717 0.807 . . . . 0.0 109.553 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 tp -158.25 166.42 32.4 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.415 0.686 . . . . 0.0 110.069 -174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 77.04 0.09 OUTLIER Glycine 0 C--O 1.244 0.777 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.35 -82.49 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.398 0.679 . . . . 0.0 111.377 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -143.83 141.14 18.11 Favored Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.76 -23.6 10.85 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 121.874 1.716 . . . . 0.0 110.785 168.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -177.9 179.32 0.88 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-N 113.463 -1.698 . . . . 0.0 107.882 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.18 102.2 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.47 -39.65 61.38 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.345 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.45 83.33 1.09 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.572 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.502 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.2 p -79.47 -9.73 59.67 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -82.36 107.64 9.48 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 123.148 0.579 . . . . 0.0 109.591 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 17' ' ' SER . 41.2 Cg_endo -96.2 162.8 1.28 Allowed 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.64 2.226 . . . . 0.0 112.833 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.38 58.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 170.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.89 43.64 48.76 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 114.918 -0.641 . . . . 0.0 113.014 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -104.09 128.11 51.7 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -132.06 148.12 52.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.832 -0.543 . . . . 0.0 111.452 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 HG23 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.594 ' HB3' HD21 ' A' ' 65' ' ' LEU . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 64' ' ' ILE . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 62' ' ' LYS . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.576 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.264 0.554 . . . . 0.0 111.591 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.37 164.51 24.67 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -119.36 150.65 39.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.672 0.748 . . . . 0.0 110.439 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.71 17.22 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.507 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -70.33 135.32 48.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.454 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -87.41 129.05 35.18 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.585 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -135.76 11.38 3.41 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.541 0.336 . . . . 0.0 111.011 -176.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tt -78.18 94.29 4.72 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.96 4.53 Favored Glycine 0 C--O 1.237 0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.197 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.24 111.68 19.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.948 0.44 . . . . 0.0 110.766 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.98 129.29 85.07 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.734 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.44 -43.61 17.22 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 121.764 1.643 . . . . 0.0 110.823 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m 69.26 143.21 0.04 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 124.582 1.176 . . . . 0.0 111.163 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.06 142.81 41.68 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.98 24.15 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.993 0.517 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.05 101.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.506 0.669 . . . . 0.0 110.179 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -107.71 113.67 27.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -119.76 96.4 49.55 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.768 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.8 -54.38 5.55 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.22 3.28 . . . . 0.0 112.976 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.79 137.19 1.24 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 121.854 0.697 . . . . 0.0 113.606 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.3 170.99 38.2 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.66 121.3 44.74 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 119.083 1.441 . . . . 0.0 109.529 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.484 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.59 HG23 HG23 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.59 HG23 HG23 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.505 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.525 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.458 ' O ' HD23 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.937 0.875 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -145.49 161.52 39.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -139.9 152.14 46.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.296 0.238 . . . . 0.0 110.416 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.55 75.48 6.18 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -65.25 96.62 0.23 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.986 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.07 107.35 8.59 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.44 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -119.69 22.55 11.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.544 1.164 . . . . 0.0 108.606 171.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.2 167.84 19.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.524 -1.217 . . . . 0.0 111.482 -171.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.4 149.49 6.93 Favored Glycine 0 C--O 1.249 1.05 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.201 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 131.29 50.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.136 0.468 . . . . 0.0 111.03 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.25 115.81 58.76 Favored Pre-proline 0 N--CA 1.454 -0.259 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.92 109.8 0.39 Allowed 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.626 2.218 . . . . 0.0 112.055 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 p -81.2 103.73 11.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -81.43 103.03 10.89 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.997 0.427 . . . . 0.0 111.097 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 120.41 21.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.137 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 129.18 35.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -73.21 81.39 1.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.046 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.1 p -65.3 111.97 7.31 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 122.913 0.485 . . . . 0.0 111.399 -173.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 18' ' ' SER . 2.8 Cg_exo -77.68 -20.01 12.37 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.399 3.399 . . . . 0.0 112.22 176.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.13 -120.82 7.36 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.45 -175.45 41.85 Favored Glycine 0 CA--C 1.504 -0.656 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -114.38 135.71 53.79 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.127 0.964 . . . . 0.0 109.865 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -150.1 168.61 23.41 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.95 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 26' ' ' SER . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 27' ' ' ILE . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 HG11 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' B' ' 19' ' ' PRO . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 58' ' ' THR . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.416 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 8.4 t-20 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -83.85 169.28 15.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.137 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.8 t -56.93 135.56 56.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.579 0.704 . . . . 0.0 111.092 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.79 103.39 7.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.962 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -140.71 151.56 44.62 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.14 131.86 6.89 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 122.641 0.377 . . . . 0.0 111.271 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -148.16 116.96 6.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.081 0.553 . . . . 0.0 110.45 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.71 93.47 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.71 81.87 0.51 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 104.57 0.16 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.431 -0.385 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.82 115.5 21.22 Favored Pre-proline 0 C--N 1.318 -0.769 0 O-C-N 123.781 0.676 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.54 -16.63 34.28 Favored 'Trans proline' 0 C--O 1.249 1.033 0 C-N-CA 123.085 2.523 . . . . 0.0 112.594 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m 58.62 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 123.807 0.692 . . . . 0.0 110.93 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' B' ' 14' ' ' GLN . 2.8 pm0 -73.23 84.41 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.87 0.843 . . . . 0.0 109.606 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.86 100.03 1.57 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.36 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.24 78.39 1.55 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.801 0.688 . . . . 0.0 111.094 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -174.72 158.13 2.62 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.418 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.1 m -103.98 97.3 10.95 Favored Pre-proline 0 C--O 1.246 0.885 0 C-N-CA 123.069 0.548 . . . . 0.0 111.008 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.449 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 50.8 Cg_endo -68.09 -31.69 29.43 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.778 2.986 . . . . 0.0 112.055 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.9 -111.15 2.57 Favored Glycine 0 C--N 1.334 0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.631 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.48 159.19 32.42 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -114.6 129.87 56.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 117.538 0.669 . . . . 0.0 109.676 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' B' ' 31' ' ' GLN . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.455 HG22 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.682 HG11 HG21 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 56' ' ' ARG . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.55 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.469 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ptm -70.02 121.55 17.64 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.038 0.447 . . . . 0.0 110.124 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -103.14 136.99 41.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.025 0.44 . . . . 0.0 110.464 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.57 99.57 3.38 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.615 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -165.41 116.55 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 122.94 0.496 . . . . 0.0 110.065 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.67 162.93 27.81 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -125.53 19.43 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.567 0.542 . . . . 0.0 110.302 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -68.51 149.83 48.78 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.16 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.89 93.46 0.09 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.04 152.97 32.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.9 128.51 78.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.227 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -87.27 46.5 1.39 Allowed 'Trans proline' 0 N--CA 1.486 1.071 0 C-N-CA 123.646 2.898 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.3 p -69.41 91.02 0.54 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 -176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -117.56 94.55 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.877 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.2 127.69 33.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.325 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 85.44 0.47 Allowed 'General case' 0 C--O 1.247 0.925 0 O-C-N 123.455 0.472 . . . . 0.0 110.466 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -64.9 131.11 45.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.303 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -116.28 97.93 50.56 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.541 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.65 157.18 56.33 Favored 'Trans proline' 0 C--O 1.243 0.725 0 C-N-CA 121.861 1.708 . . . . 0.0 111.208 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -161.16 12.13 Favored Glycine 0 N--CA 1.44 -1.069 0 O-C-N 121.965 -0.46 . . . . 0.0 112.717 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.15 138.78 7.48 Favored Glycine 0 C--N 1.333 0.368 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.35 145.1 31.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.161 -0.611 . . . . 0.0 110.785 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.53 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 -144.01 162.96 34.86 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' HD12 ' A' ' 27' ' ' ILE . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.526 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' ILE . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 44' ' ' ILE . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 41' ' ' ASP . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' H ' HG13 ' A' ' 40' ' ' VAL . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 38' ' ' PHE . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.643 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 63' ' ' LEU . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 C--O 1.241 0.642 0 CA-C-O 120.98 0.419 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.22 77.79 4.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -73.26 87.54 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.943 0.877 . . . . 0.0 110.476 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.93 24.01 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.692 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -109.49 2.99 20.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.204 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.73 128.79 38.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.243 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.42 119.79 38.55 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.748 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.451 ' N ' HD23 ' B' ' 8' ' ' LEU . 2.3 pt? -152.84 156.38 38.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.103 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.51 129.05 1.14 Allowed Glycine 0 C--O 1.243 0.657 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.017 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.13 117.07 33.37 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 122.343 0.257 . . . . 0.0 111.083 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 124.67 89.88 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.25 -37.98 29.11 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.278 1.985 . . . . 0.0 112.388 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 71.17 -58.3 0.58 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.483 1.114 . . . . 0.0 112.365 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.85 144.1 56.48 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 111.483 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.5 93.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.112 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.01 138.56 39.67 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.603 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.6 m -147.58 115.23 6.37 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.892 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -73.89 138.07 76.44 Favored Pre-proline 0 C--O 1.242 0.7 0 O-C-N 122.102 -0.374 . . . . 0.0 110.577 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.65 156.73 40.82 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.26 2.64 . . . . 0.0 111.781 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 -117.31 1.27 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.206 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.53 98.05 2.4 Favored Glycine 0 C--O 1.236 0.265 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.23 140.79 40.95 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 117.883 0.842 . . . . 0.0 109.628 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.526 HG22 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' A' ' 44' ' ' ILE . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.474 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.474 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' B' ' 44' ' ' ILE . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 41' ' ' ASP . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 40' ' ' VAL . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.477 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.414 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.478 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.723 0.297 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 53.7 ttp -62.5 83.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.587 0.708 . . . . 0.0 111.349 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.8 m -114.77 92.62 4.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.081 173.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.1 97.11 2.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.846 -176.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -125.13 95.02 4.34 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.696 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.51 145.7 28.77 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.186 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -150.8 154.09 36.65 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.208 0.528 . . . . 0.0 110.314 -179.496 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.75 120.92 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.41 0.684 . . . . 0.0 109.914 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.01 -3.74 6.22 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.435 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 69.26 2.34 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.568 0.699 . . . . 0.0 110.54 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.9 p-10 -77.15 140.05 65.56 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-O 121.131 0.491 . . . . 0.0 110.244 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 11.5 Cg_exo -71.19 101.81 1.16 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 122.275 1.983 . . . . 0.0 112.236 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -91.77 79.44 5.36 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -109.23 21.74 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.702 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.97 90.59 1.97 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.649 0.737 . . . . 0.0 110.584 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.93 103.25 15.86 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.966 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -62.09 105.74 0.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.827 0.346 . . . . 0.0 110.306 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 m -79.2 117.71 68.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HG2' HG21 ' A' ' 40' ' ' VAL . 66.5 Cg_endo -70.53 141.3 41.75 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.321 2.014 . . . . 0.0 112.512 -174.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.0 45.6 1.08 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.64 -143.49 6.88 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.87 125.61 42.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH2' HG23 ' A' ' 40' ' ' VAL . 6.7 ptp180 -125.38 139.85 53.31 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.327 -177.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' HB3' HD21 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB2' HG23 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.614 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ptm -176.81 177.78 1.29 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.567 0.542 . . . . 0.0 110.043 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -142.76 122.85 13.68 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.08 139.17 45.49 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -160.36 120.7 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.224 0.535 . . . . 0.0 109.567 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.11 90.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -143.67 143.29 31.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.123 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.542 ' N ' HD23 ' B' ' 8' ' ' LEU . 1.2 pt? -155.85 84.05 1.02 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.719 0.771 . . . . 0.0 110.11 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.22 9.85 7.39 Favored Glycine 0 C--O 1.239 0.46 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.825 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.23 107.89 19.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.908 0.385 . . . . 0.0 110.429 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -159.24 150.22 16.14 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.44 -26.04 10.63 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.063 2.509 . . . . 0.0 112.544 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.9 m 64.16 102.32 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.983 0.897 . . . . 0.0 109.79 -173.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.85 82.38 0.91 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.328 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.93 36.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.844 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 55.43 30.56 15.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.285 0.634 . . . . 0.0 110.476 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.3 p -63.45 84.19 0.03 OUTLIER 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.014 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -95.89 111.54 56.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -87.44 167.6 7.55 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.345 2.03 . . . . 0.0 113.28 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.06 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 O-C-N 124.177 0.923 . . . . 0.0 110.982 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.97 -125.68 39.63 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-O 121.095 0.275 . . . . 0.0 112.987 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.86 129.92 38.63 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.578 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.509 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 63' ' ' LEU . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.337 0.113 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 2' ' ' MET . 49.1 tpp -156.74 22.44 0.33 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.645 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.7 m -60.19 -33.55 72.37 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.266 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.73 88.03 7.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.988 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -127.31 41.04 3.59 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.853 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.42 159.2 34.95 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -77.24 87.13 3.67 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 121.947 -0.471 . . . . 0.0 111.956 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.96 92.36 0.51 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.146 -0.686 . . . . 0.0 109.146 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.52 44.28 0.23 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.87 92.8 4.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 10.7 p-10 -114.39 116.32 44.1 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.369 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 22.0 Cg_exo -66.47 155.53 69.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.143 2.562 . . . . 0.0 111.693 177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 t -148.9 120.79 8.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.8 98.75 1.94 Allowed 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.0 24.99 8.09 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.6 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 92.67 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.592 0.558 . . . . 0.0 110.985 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 m -95.61 128.24 42.31 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.043 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -151.37 89.24 4.22 Favored Pre-proline 0 C--O 1.243 0.731 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.07 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -90.99 -167.64 0.23 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 123.348 2.698 . . . . 0.0 111.363 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -71.36 0.87 Allowed Glycine 0 C--O 1.24 0.48 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.15 -134.23 36.94 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.194 0.585 . . . . 0.0 112.57 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -94.2 137.89 32.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -140.25 151.23 44.97 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.464 ' C ' HD12 ' A' ' 27' ' ' ILE . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.432 0.634 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -156.78 151.76 26.09 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.514 HG22 ' H ' ' B' ' 5' ' ' SER . 16.8 m -60.04 132.09 52.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.701 0.762 . . . . 0.0 110.472 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.66 -21.68 54.78 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.207 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.746 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 30.4 m -69.43 15.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.17 97.52 0.06 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 66.11 14.9 9.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.851 0.86 . . . . 0.0 111.008 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.746 ' HB3' ' HA ' ' B' ' 5' ' ' SER . 6.2 tt -100.05 128.92 46.06 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.45 ' N ' HD23 ' B' ' 8' ' ' LEU . . . 76.38 42.11 23.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -171.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.46 60.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.326 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.73 107.37 2.47 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 -30.52 10.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.015 1.81 . . . . 0.0 112.466 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m 51.37 66.27 1.24 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -67.42 150.05 49.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.817 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 88.18 0.09 Allowed 'General case' 0 C--O 1.247 0.97 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.17 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.04 91.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.0 m -78.75 -25.23 44.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.212 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -78.15 111.99 22.39 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.493 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.9 133.08 28.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.416 2.077 . . . . 0.0 111.277 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.26 61.06 4.44 Favored Glycine 0 CA--C 1.497 -1.066 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.999 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.53 89.5 0.11 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -90.75 145.1 25.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 28' ' ' VAL . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.516 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.48 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.461 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.467 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.596 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 67' ' ' LYS . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.438 0.161 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.0 OUTLIER -83.41 81.17 8.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -80.78 104.59 11.4 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 109.98 21.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.877 0.37 . . . . 0.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.6 p -81.27 99.65 8.73 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.221 0.534 . . . . 0.0 109.86 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.67 124.79 31.88 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.342 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 5' ' ' SER . 2.9 mpt_? -91.26 99.4 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.73 164.09 14.55 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.894 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.75 109.16 0.3 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.923 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.89 147.49 35.05 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -130.79 85.6 54.99 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.789 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.53 111.7 2.85 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 123.114 2.543 . . . . 0.0 112.16 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 m -80.29 89.72 5.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.353 0.597 . . . . 0.0 109.773 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -97.92 96.67 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.964 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 126.69 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.082 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.22 178.35 6.3 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.673 0.273 . . . . 0.0 110.538 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -136.24 146.18 46.45 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.804 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.3 m -112.08 127.61 26.63 Favored Pre-proline 0 N--CA 1.447 -0.615 0 C-N-CA 122.96 0.504 . . . . 0.0 111.048 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.39 116.16 3.22 Favored 'Trans proline' 0 C--O 1.244 0.8 0 C-N-CA 122.804 2.336 . . . . 0.0 111.636 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.3 56.9 0.09 OUTLIER Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.93 -98.87 2.59 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.293 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.81 142.76 27.39 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 122.763 0.425 . . . . 0.0 111.358 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -133.52 149.82 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' HB3' HG23 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 41' ' ' ASP . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 40' ' ' VAL . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.542 ' HB2' HG23 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 58' ' ' THR . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.523 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 7.6 p30 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.563 0.22 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -97.29 125.52 41.91 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.6 m -69.33 82.51 0.37 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.563 0.697 . . . . 0.0 110.585 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.52 87.15 4.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.89 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -72.39 84.69 1.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.688 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.35 132.51 52.87 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.666 0.386 . . . . 0.0 110.817 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 7' ' ' ARG . 5.3 ptp180 -164.62 146.02 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.029 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.26 143.34 6.15 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.641 0.588 . . . . 0.0 110.563 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.58 115.87 5.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.02 114.19 15.49 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -138.58 132.5 16.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' B' ' 14' ' ' GLN . 15.0 Cg_endo -54.84 -53.16 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m 68.02 -16.23 0.19 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.291 176.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 12' ' ' PRO . 48.5 mt-30 -72.66 115.19 11.65 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.099 -0.376 . . . . 0.0 111.444 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.82 92.19 2.38 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 96.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.227 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -71.51 -48.15 50.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.549 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.3 m -155.94 136.25 8.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.612 0.244 . . . . 0.0 111.403 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.17 5.47 6.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.637 2.225 . . . . 0.0 112.177 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.84 -172.49 45.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.547 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.84 -107.36 0.58 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -93.77 135.82 34.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.568 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.491 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.491 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.512 ' HB3' HG23 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.409 ' HB ' HG13 ' B' ' 27' ' ' ILE . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.564 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.564 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.436 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.52 HG23 HG23 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.602 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.648 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.602 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -113.44 167.3 10.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.656 0.598 . . . . 0.0 110.68 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.4 p -84.41 39.24 0.72 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.771 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 84.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.916 0.865 . . . . 0.0 110.516 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -150.41 83.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.618 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.29 158.66 15.48 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.708 -0.62 . . . . 0.0 110.464 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.28 128.39 34.15 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.925 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -141.79 153.88 44.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.81 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.13 -20.27 0.07 OUTLIER Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.77 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.13 91.72 0.06 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.926 0.427 . . . . 0.0 112.005 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.17 138.75 92.23 Favored Pre-proline 0 C--O 1.243 0.761 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.727 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.77 119.82 6.71 Favored 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.122 1.881 . . . . 0.0 110.708 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -69.71 121.96 18.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.33 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.88 99.51 12.45 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 121.386 0.612 . . . . 0.0 110.976 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.99 141.47 28.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.453 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.77 69.45 7.32 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.243 0.544 . . . . 0.0 110.505 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -83.9 89.89 7.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.43 177.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -95.16 109.68 46.07 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.471 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.73 120.23 7.32 Favored 'Trans proline' 0 C--O 1.246 0.877 0 C-N-CA 122.499 2.132 . . . . 0.0 111.999 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.44 76.55 0.32 Allowed Glycine 0 CA--C 1.506 -0.479 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.42 159.85 19.31 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.113 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -80.06 102.54 9.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.819 0.342 . . . . 0.0 110.624 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.59 134.18 34.82 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 HD13 ' B' ' 27' ' ' ILE . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.41 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HG12 ' N ' ' A' ' 33' ' ' ASP . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 32' ' ' ILE . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.555 HG23 HG23 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 62' ' ' LYS . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 57' ' ' LEU . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 53' ' ' TYR . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.5 ttt -156.85 124.71 5.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.57 HG22 ' H ' ' B' ' 5' ' ' SER . 53.7 m -149.92 140.71 22.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.589 0.756 . . . . 0.0 109.725 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.42 16.7 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.57 ' H ' HG22 ' B' ' 3' ' ' THR . 31.0 m -92.22 0.6 57.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.65 -40.04 93.48 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.523 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -152.25 102.78 2.8 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.973 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.4 tp -168.39 113.1 0.62 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.286 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.69 76.44 0.82 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.335 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.07 95.45 2.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.9 132.08 92.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.606 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -90.5 17.34 1.49 Allowed 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.034 2.489 . . . . 0.0 113.069 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.6 m -47.04 135.94 9.08 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.407 -175.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -159.26 122.54 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.07 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.55 76.86 1.56 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 114.83 7.48 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.164 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.7 p -73.61 116.96 14.8 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.379 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -114.96 91.27 25.96 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.536 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.45 166.38 30.01 Favored 'Trans proline' 0 C--O 1.247 0.947 0 C-N-CA 123.269 2.646 . . . . 0.0 111.786 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.93 -85.63 0.25 Allowed Glycine 0 C--O 1.252 1.25 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.9 157.09 5.61 Favored Glycine 0 N--CA 1.461 0.353 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.541 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.03 127.67 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.686 -0.302 . . . . 0.0 110.789 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 27' ' ' ILE . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 41' ' ' ASP . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' B' ' 67' ' ' LYS . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' B' ' 53' ' ' TYR . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 81.9 mtp -118.09 123.71 46.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.832 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -150.36 144.95 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.892 0.377 . . . . 0.0 110.031 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.09 116.13 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -84.62 106.61 16.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.661 0.267 . . . . 0.0 110.59 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.19 132.77 48.47 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.0 81.21 9.0 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.558 0.694 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.81 106.82 3.72 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.06 157.96 53.32 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-O 121.444 0.469 . . . . 0.0 113.019 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.73 92.64 2.24 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 122.335 -0.509 . . . . 0.0 109.967 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -96.2 129.14 34.49 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.13 117.31 4.38 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 122.135 1.89 . . . . 0.0 112.758 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -93.99 128.79 40.53 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -165.11 134.52 3.54 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.047 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.78 33.26 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.03 121.66 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.613 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -66.44 93.19 0.22 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.687 0.617 . . . . 0.0 109.547 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -68.11 117.53 49.94 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.586 ' HA ' HG21 ' A' ' 40' ' ' VAL . 56.8 Cg_endo -68.47 141.86 52.25 Favored 'Trans proline' 0 C--O 1.244 0.803 0 C-N-CA 122.941 2.427 . . . . 0.0 112.011 -177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.76 120.96 8.38 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.99 -73.26 0.46 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 112.251 -0.339 . . . . 0.0 112.251 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -113.03 119.6 38.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 -133.17 152.74 51.94 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.044 -171.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' HB2' HD13 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 19' ' ' PRO . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HD2' HD11 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 64' ' ' ILE . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD23 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' A' ' 61' ' ' ASN . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' H ' ' H ' ' A' ' 60' ' ' GLN . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.14 134.64 45.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -140.88 95.49 2.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.402 0.62 . . . . 0.0 110.492 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.76 75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.894 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -85.92 -4.64 59.22 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.616 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.53 132.14 34.95 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.99 174.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -128.54 123.91 34.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.432 0.634 . . . . 0.0 110.692 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -95.31 109.52 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.538 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.05 116.3 0.68 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.405 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.19 -62.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.36 111.14 47.11 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.561 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -94.72 11.81 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.971 2.447 . . . . 0.0 112.321 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 58.4 m 57.83 82.01 0.14 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.585 0.707 . . . . 0.0 109.686 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -110.02 132.32 54.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 123.474 0.71 . . . . 0.0 111.814 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.2 32.54 20.44 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.952 0.783 . . . . 0.0 111.282 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.47 0.54 5.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.111 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 p -54.61 -43.43 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.803 0.811 . . . . 0.0 110.014 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.3 m -146.21 83.01 8.73 Favored Pre-proline 0 C--N 1.306 -1.309 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.641 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.7 -37.98 91.46 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.525 2.817 . . . . 0.0 111.96 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.11 105.04 1.92 Allowed Glycine 0 CA--C 1.507 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.74 -19.22 60.44 Favored Glycine 0 C--O 1.238 0.39 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -101.63 134.58 44.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 123.733 0.313 . . . . 0.0 110.901 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 27' ' ' ILE . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . 0.438 ' HB2' HD13 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.414 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.4 ' O ' HD11 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PHE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.505 HG23 HG22 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.673 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.471 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' B' ' 61' ' ' ASN . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' B' ' 60' ' ' GLN . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.425 ' H ' ' HG1' ' B' ' 58' ' ' THR . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.561 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -170.67 -177.29 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.152 0.581 . . . . 0.0 110.983 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 m -118.87 92.24 3.76 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.79 14.47 7.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.902 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -66.15 81.34 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.947 0.404 . . . . 0.0 110.642 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.05 137.42 32.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -162.71 108.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.66 0.384 . . . . 0.0 111.329 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -93.48 144.05 25.72 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.24 70.67 0.28 Allowed Glycine 0 CA--C 1.505 -0.557 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.867 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.38 -173.39 3.05 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.016 0.436 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.05 134.84 10.16 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -95.91 25.3 0.3 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.476 2.118 . . . . 0.0 112.165 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -60.9 97.66 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.804 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -120.59 87.5 2.76 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.43 123.17 38.83 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.384 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.22 116.14 30.54 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -56.08 95.44 0.02 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.494 0.664 . . . . 0.0 110.71 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -71.35 113.47 19.69 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.64 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 20.0 Cg_exo -68.25 -24.76 37.4 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.744 2.296 . . . . 0.0 111.811 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.88 -61.11 4.82 Favored Glycine 0 C--O 1.239 0.447 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.88 -118.51 0.9 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 117.274 0.537 . . . . 0.0 112.419 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.38 25.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.55 0.34 . . . . 0.0 110.388 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 161.59 40.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.784 -0.573 . . . . 0.0 110.582 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.64 ' HB ' ' HA ' ' A' ' 19' ' ' PRO . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.467 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' B' ' 48' ' ' HIS . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.629 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.529 0.204 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -85.44 13.16 7.08 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 m -143.53 109.3 5.19 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 111.279 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.31 93.14 7.66 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -105.67 140.08 39.28 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.684 0.754 . . . . 0.0 112.601 -173.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.52 149.32 46.67 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -144.72 35.08 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 123.147 0.28 . . . . 0.0 110.832 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.22 44.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.68 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.234 -0.759 . . . . 0.0 111.266 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 74.68 -43.01 0.51 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.893 0.877 . . . . 0.0 112.678 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 58.1 82.76 0.23 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -91.91 4.19 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.618 2.879 . . . . 0.0 112.045 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -79.4 132.68 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.218 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -162.31 166.51 25.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 122.902 0.481 . . . . 0.0 109.905 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.99 -79.42 0.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 124.374 1.046 . . . . 0.0 110.23 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.5 -51.05 0.7 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.7 t -52.37 113.1 0.94 Allowed 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.51 0.506 . . . . 0.0 110.717 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.6 p -150.9 119.31 3.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.302 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.49 105.95 0.81 Allowed 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.342 2.695 . . . . 0.0 111.639 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.5 18.8 10.83 Favored Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.67 84.36 0.28 Allowed Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.772 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.04 136.39 43.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 28' ' ' VAL . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.467 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.549 HG23 HG23 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.549 HG23 HG23 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' NH1' ' B' ' 52' ' ' ARG . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' HIS . . . . . 0.409 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' B' ' 47' ' ' ALA . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.497 ' HB3' HD11 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' ' 53' ' ' TYR . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.0 mtp -67.53 94.58 0.42 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -79.85 -7.9 58.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.15 141.49 47.12 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.113 -0.367 . . . . 0.0 110.99 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -129.82 123.08 30.06 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 124.033 0.833 . . . . 0.0 109.718 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.22 161.21 19.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' HD3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -128.29 150.69 49.95 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 -176.337 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -85.32 165.16 17.51 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.204 0.602 . . . . 0.0 110.457 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.63 158.57 15.11 Favored Glycine 0 C--N 1.317 -0.503 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.11 178.69 6.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.3 p-10 -141.34 125.64 10.36 Favored Pre-proline 0 C--N 1.321 -0.669 0 O-C-N 123.402 0.439 . . . . 0.0 110.392 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 19.6 Cg_exo -68.0 123.66 10.91 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.457 2.104 . . . . 0.0 111.645 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -90.5 153.68 20.19 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -152.65 144.45 23.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.774 0.671 . . . . 0.0 109.303 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.32 107.04 6.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.16 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.8 142.99 28.89 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.205 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 m -137.05 93.52 2.84 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.714 0.634 . . . . 0.0 109.5 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' HG11 ' A' ' 40' ' ' VAL . 22.4 p -90.71 112.77 55.11 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 52.1 Cg_exo -53.42 -27.1 38.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.56 2.173 . . . . 0.0 112.276 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' B' ' 29' ' ' GLY . . . 113.19 161.81 14.85 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.677 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.73 -89.44 0.28 Allowed Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.626 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.81 118.09 33.28 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 -122.4 141.46 51.57 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HB3' HG23 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 33' ' ' ASP . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG23 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB3' HD11 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -160.66 152.17 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.516 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.3 m -82.13 109.32 16.33 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.922 0.764 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.56 152.97 41.32 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.279 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -155.32 -167.3 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.583 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 128.62 36.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.16 0.287 . . . . 0.0 110.752 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -70.32 126.42 29.61 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.527 0.331 . . . . 0.0 111.57 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.64 -177.39 4.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.086 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.02 45.5 3.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.96 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 8.19 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.335 0.588 . . . . 0.0 111.349 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.08 110.5 13.57 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -89.85 -0.63 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.262 2.641 . . . . 0.0 112.332 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 55.9 m 56.6 90.4 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.576 0.548 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -80.31 42.63 0.59 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.587 0.355 . . . . 0.0 110.593 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -53.48 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 0.0 111.66 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.5 82.32 1.09 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 110.649 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 p -94.61 -30.14 14.5 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.613 0.721 . . . . 0.0 110.073 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -82.42 124.58 77.87 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.82 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.77 -5.71 12.36 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 121.766 1.644 . . . . 0.0 112.237 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 -57.31 0.48 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.54 -17.47 10.55 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.528 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.17 121.76 40.48 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.589 0.694 . . . . 0.0 109.612 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 20' ' ' GLY . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 41' ' ' ASP . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 40' ' ' VAL . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.455 ' HB2' HG23 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.546 ' OD1' ' HG2' ' B' ' 62' ' ' LYS . 3.7 p30 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.546 ' HG2' ' OD1' ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.63 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.63 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ttt -143.71 109.38 5.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 p -65.45 100.56 0.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.93 102.95 4.95 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.137 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.69 -47.48 3.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.269 0.556 . . . . 0.0 110.486 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.09 -175.81 2.34 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.86 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -147.53 173.66 12.48 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 121.197 0.522 . . . . 0.0 111.614 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 tp -134.21 91.27 2.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.581 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.86 43.87 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.73 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.47 52.17 2.3 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.261 0.553 . . . . 0.0 110.061 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.01 124.86 91.17 Favored Pre-proline 0 C--O 1.238 0.454 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.451 -174.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.62 97.39 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.229 1.953 . . . . 0.0 110.534 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -67.22 164.93 17.15 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.121 0.486 . . . . 0.0 110.978 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -80.12 94.1 5.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 -24.81 27.4 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.89 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.66 101.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.718 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -79.61 63.66 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.655 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -152.36 78.98 6.23 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 40' ' ' VAL . 62.4 Cg_endo -75.25 -16.51 19.62 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.413 2.075 . . . . 0.0 111.877 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 34.26 87.54 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.396 -0.366 . . . . 0.0 112.96 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.15 169.88 53.23 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.135 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.91 130.57 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.285 1.042 . . . . 0.0 108.518 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 157.45 45.53 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 122.407 -0.183 . . . . 0.0 110.825 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HB ' ' A' ' 32' ' ' ILE . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.644 ' HD2' HD11 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 64' ' ' ILE . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 22.7 mmt 58.32 -172.54 0.1 Allowed 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -69.0 124.35 23.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.234 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.43 -57.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -73.5 -34.64 65.39 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.999 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.68 97.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.95 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -168.35 155.24 7.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.56 78.43 4.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.475 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.73 -39.7 97.79 Favored Glycine 0 C--N 1.319 -0.371 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.62 2.87 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.113 -1.043 . . . . 0.0 109.177 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.881 ' HB3' ' HB2' ' B' ' 14' ' ' GLN . 10.3 t70 -56.48 133.96 76.96 Favored Pre-proline 0 C--O 1.238 0.448 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.24 -34.67 40.76 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.703 2.269 . . . . 0.0 114.269 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -113.96 17.04 18.15 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.191 0.519 . . . . 0.0 110.885 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.881 ' HB2' ' HB3' ' B' ' 11' ' ' ASP . 35.7 tt0 -68.16 92.17 0.39 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.368 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.61 38.28 0.84 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 116.55 1.22 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.618 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -133.31 118.52 18.61 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.516 0.51 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -135.39 79.62 48.1 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.27 -161.64 0.15 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.765 2.977 . . . . 0.0 111.941 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.2 24.63 Favored Glycine 0 CA--C 1.51 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.493 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.32 -64.91 1.02 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.946 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.89 144.66 29.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.581 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' TYR . . . . . 0.596 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' B' ' 64' ' ' ILE . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.493 HD12 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' B' ' 53' ' ' TYR . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.596 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.491 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.614 -0.143 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.8 OUTLIER -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.486 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.486 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.439 ' HB3' HG12 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.552 HG23 HG23 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.552 HG23 HG23 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.52 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.427 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.64 HD13 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.64 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.696 -0.113 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB3' HG23 ' A' ' 28' ' ' VAL . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 33' ' ' ASP . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 32' ' ' ILE . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.569 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG23 HG23 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 51' ' ' ASP . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 58' ' ' THR . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.56 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 56' ' ' ARG . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.465 HH21 HG12 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.465 HG12 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.532 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.532 HD12 ' C ' ' B' ' 26' ' ' SER . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.432 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 41' ' ' ASP . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.653 ' H ' HG23 ' B' ' 40' ' ' VAL . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.55 ' HD2' HD11 ' B' ' 65' ' ' LEU . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.555 ' N ' HD23 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.518 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.579 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.579 ' N ' HD13 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' ILE . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 39' ' ' THR . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.459 HH21 HD23 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.404 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.734 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.578 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.526 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.449 ' O ' HG22 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.469 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' B' ' 44' ' ' ILE . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.437 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.469 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.807 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.45 HD12 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.45 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.807 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.473 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.425 ' C ' HD12 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.52 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HG ' ' B' ' 55' ' ' LEU . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' HZ ' ' B' ' 38' ' ' PHE . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' B' ' 59' ' ' SER . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.438 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.449 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.43 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' C ' HD12 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 HG23 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.657 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' HG23 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.507 0 CA-C-O 120.748 0.309 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.744 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.744 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.639 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.639 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.571 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.565 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.565 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' B' ' 65' ' ' LEU . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.511 ' HB2' HG23 ' B' ' 66' ' ' THR . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.443 HD11 HD12 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.443 HD12 HD11 ' B' ' 55' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.608 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.608 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD13 ' B' ' 27' ' ' ILE . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 27' ' ' ILE . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.542 ' HB3' HG23 ' A' ' 28' ' ' VAL . 31.6 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.654 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 27' ' ' ILE . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.443 ' C ' HD12 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.484 HD11 HD12 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.484 HD12 HD11 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.539 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.411 ' HB3' HD11 ' B' ' 65' ' ' LEU . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 53' ' ' TYR . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.552 HH21 HD11 ' A' ' 44' ' ' ILE . 25.6 ptt-85 . . . . . 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 25' ' ' VAL . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HB3' HG23 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.552 HD11 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HH11 ' A' ' 52' ' ' ARG . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 51' ' ' ASP . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 50' ' ' ASP . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HB2' ' A' ' 47' ' ' ALA . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.41 ' N ' HD23 ' A' ' 57' ' ' LEU . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.551 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 37' ' ' LEU . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 25' ' ' VAL . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.499 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.499 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.485 HD11 HD12 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 56' ' ' ARG . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' HD11 ' B' ' 57' ' ' LEU . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HD2' HD11 ' A' ' 65' ' ' LEU . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.462 HD11 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.507 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' B' ' 39' ' ' THR . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 25' ' ' VAL . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' B' ' 44' ' ' ILE . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.506 HG23 HG22 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.506 HG22 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . 0.462 ' CE1' HD11 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' B' ' 65' ' ' LEU . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' B' ' 64' ' ' ILE . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.431 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.44 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 HG21 HD11 ' B' ' 63' ' ' LEU . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 56' ' ' ARG . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 54' ' ' ARG . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.509 ' OE1' ' HA ' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.498 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.575 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.507 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.584 HG23 HG23 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.575 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.492 HD23 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.492 ' N ' HD23 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.494 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.622 0.249 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 HG23 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.594 ' HB3' HD21 ' A' ' 65' ' ' LEU . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 64' ' ' ILE . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 62' ' ' LYS . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 CA--C 1.509 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.484 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.59 HG23 HG23 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.59 HG23 HG23 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.505 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.525 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.458 ' O ' HD23 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 26' ' ' SER . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 27' ' ' ILE . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 HG11 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.497 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 58' ' ' THR . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.754 HD22 ' HG3' ' A' ' 62' ' ' LYS . 4.9 t30 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 61' ' ' ASN . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.238 0.488 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' B' ' 31' ' ' GLN . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.455 HG22 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.682 HG11 HG21 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 56' ' ' ARG . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.55 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.469 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.53 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 . . . . . 0 C--O 1.233 0.236 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' HD12 ' A' ' 27' ' ' ILE . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' ILE . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 44' ' ' ILE . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 41' ' ' ASP . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' H ' HG13 ' A' ' 40' ' ' VAL . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 38' ' ' PHE . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.643 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 63' ' ' LEU . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.247 0.943 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.526 HG22 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' A' ' 44' ' ' ILE . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.474 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.474 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' B' ' 44' ' ' ILE . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 41' ' ' ASP . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 40' ' ' VAL . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.477 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.414 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.478 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH2' HG23 ' A' ' 40' ' ' VAL . 6.7 ptp180 . . . . . 0 C--O 1.238 0.492 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' HB3' HD21 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB2' HG23 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.614 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.578 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.509 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 63' ' ' LEU . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.464 ' C ' HD12 ' A' ' 27' ' ' ILE . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 28' ' ' VAL . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.516 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.48 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.48 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.461 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.467 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.596 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 67' ' ' LYS . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' HB3' HG23 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 41' ' ' ASP . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 40' ' ' VAL . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.542 ' HB2' HG23 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 58' ' ' THR . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.671 ' ND2' ' HG2' ' A' ' 62' ' ' LYS . 3.8 p-10 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' ' ND2' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.568 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.491 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.491 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.512 ' HB3' HG23 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.409 ' HB ' HG13 ' B' ' 27' ' ' ILE . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.564 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.564 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.436 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.52 HG23 HG23 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.602 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.648 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.602 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 HD13 ' B' ' 27' ' ' ILE . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.656 ' NE2' ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.656 ' H ' ' NE2' ' A' ' 31' ' ' GLN . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 32' ' ' ILE . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.555 HG23 HG23 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 62' ' ' LYS . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 57' ' ' LEU . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 53' ' ' TYR . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.092 0 CA-C-O 120.45 0.167 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 27' ' ' ILE . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.448 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 41' ' ' ASP . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.477 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' B' ' 67' ' ' LYS . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' B' ' 53' ' ' TYR . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 . . . . . 0 N--CA 1.455 -0.198 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.427 ' HB2' HD13 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.691 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 HG23 ' A' ' 39' ' ' THR . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HD2' HD11 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 64' ' ' ILE . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD23 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' A' ' 61' ' ' ASN . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' H ' ' H ' ' A' ' 60' ' ' GLN . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . . . . . . 0 C--O 1.239 0.501 0 CA-C-O 120.712 0.291 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 27' ' ' ILE . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . 0.477 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . 0.438 ' HB2' HD13 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.414 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.4 ' O ' HD11 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.505 HG23 HG22 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.673 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.471 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' B' ' 61' ' ' ASN . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' B' ' 60' ' ' GLN . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.425 ' H ' ' HG1' ' B' ' 58' ' ' THR . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.561 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.53 0.205 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.467 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.448 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' B' ' 48' ' ' HIS . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.629 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.464 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 28' ' ' VAL . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.467 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.549 HG23 HG23 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.549 HG23 HG23 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' NH1' ' B' ' 52' ' ' ARG . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . 0.409 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' B' ' 47' ' ' ALA . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.497 ' HB3' HD11 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' ' 53' ' ' TYR . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HB3' HG23 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 33' ' ' ASP . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG23 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB3' HD11 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.601 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 41' ' ' ASP . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 40' ' ' VAL . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.455 ' HB2' HG23 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . 0.457 HG21 HD21 ' B' ' 61' ' ' ASN . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.707 HD22 ' HG2' ' B' ' 62' ' ' LYS . 4.7 p-10 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.707 ' HG2' HD22 ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.63 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.63 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.392 0 CA-C-O 120.311 0.101 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HB ' ' A' ' 32' ' ' ILE . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.644 ' HD2' HD11 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 64' ' ' ILE . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.581 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' TYR . . . . . 0.596 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' B' ' 64' ' ' ILE . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.493 HD12 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' B' ' 53' ' ' TYR . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.596 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.9 tpt -62.57 135.7 57.53 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.942 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.4 p -110.85 114.35 27.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.747 0.819 . . . . 0.0 110.498 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.93 98.43 1.33 Allowed 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 120.859 0.361 . . . . 0.0 111.947 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -92.76 112.86 24.97 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 120.979 0.419 . . . . 0.0 110.181 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.79 143.71 57.25 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.246 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 7' ' ' ARG . 9.0 ptm85 -130.0 7.62 5.13 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.4 mt -81.74 94.47 7.01 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.075 0.941 . . . . 0.0 110.861 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.62 36.66 2.25 Favored Glycine 0 C--N 1.336 0.532 0 O-C-N 121.247 -0.908 . . . . 0.0 112.786 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.49 89.78 1.69 Allowed 'General case' 0 C--O 1.241 0.634 0 CA-C-O 121.863 0.84 . . . . 0.0 110.094 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -81.69 123.94 80.11 Favored Pre-proline 0 N--CA 1.455 -0.212 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.53 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.86 60.54 5.35 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 123.514 2.809 . . . . 0.0 111.964 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -62.68 -33.23 74.65 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.128 0.489 . . . . 0.0 110.637 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -75.63 119.67 19.99 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.642 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.76 132.61 29.2 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 122.528 0.331 . . . . 0.0 111.619 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.63 -82.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.22 0.95 . . . . 0.0 111.564 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.2 m 57.0 25.34 10.58 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.556 0.693 . . . . 0.0 111.004 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.4 m -119.41 88.97 39.44 Favored Pre-proline 0 C--O 1.237 0.426 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.689 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.14 152.55 24.26 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.568 176.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.69 43.74 1.26 Allowed Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.111 -0.566 . . . . 0.0 113.267 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.97 -53.51 29.98 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -85.64 103.81 14.8 Favored 'General case' 0 C--O 1.249 1.07 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 171.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.491 HH22 ' CG ' ' A' ' 41' ' ' ASP . 12.2 mtt180 -95.55 122.55 38.41 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.886 0.474 . . . . 0.0 110.614 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -97.65 108.66 21.43 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.328 -0.232 . . . . 0.0 111.313 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -109.27 146.7 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 O-C-N 123.482 0.489 . . . . 0.0 109.705 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 27' ' ' ILE . 17.7 p -108.82 157.34 18.68 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.552 0.692 . . . . 0.0 112.21 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.9 mp -120.65 125.65 74.35 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 114.293 -1.321 . . . . 0.0 108.272 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' GLN . 14.9 m -99.55 97.41 5.85 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 CA-C-O 121.353 0.597 . . . . 0.0 109.774 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.03 -74.29 2.03 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 110.849 -0.901 . . . . 0.0 110.849 -175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -157.4 19.05 0.28 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.358 0.599 . . . . 0.0 110.115 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.8 OUTLIER -109.47 158.82 17.59 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -176.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.1 tt -161.48 151.21 4.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 16.6 t70 -96.14 133.24 40.66 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 123.688 0.618 . . . . 0.0 110.104 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 t -60.8 -37.92 83.57 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -177.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -64.75 -29.69 70.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.956 0.408 . . . . 0.0 110.673 -174.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.99 -42.6 85.48 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.369 0.604 . . . . 0.0 111.059 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.76 -52.37 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.759 0.79 . . . . 0.0 110.942 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.366 -173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.0 t -65.56 -30.04 70.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.798 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 58.1 t -102.43 -76.52 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.628 0 CA-C-O 120.577 0.227 . . . . 0.0 110.717 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' CG ' HH22 ' A' ' 23' ' ' ARG . 1.1 p30 -97.47 178.43 5.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 57' ' ' LEU . 32.8 ttp-105 -112.91 21.31 15.59 Favored 'General case' 0 C--O 1.245 0.853 0 O-C-N 121.825 -0.547 . . . . 0.0 110.756 -175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.48 136.77 23.74 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.672 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.1 mm -125.58 145.17 33.42 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.381 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.34 142.58 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.6 mt -133.69 110.28 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.063 -174.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.08 135.71 33.19 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -144.9 99.95 3.42 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.07 -84.79 1.36 Allowed Glycine 0 N--CA 1.441 -1.02 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -142.27 -12.95 0.81 Allowed 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -101.24 169.76 8.7 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.807 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -131.99 131.35 42.47 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 -173.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.467 ' HB3' HD11 ' A' ' 65' ' ' LEU . 45.7 m-85 -112.37 169.02 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.119 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.486 ' NH1' HH21 ' A' ' 56' ' ' ARG . 64.1 mtm180 -134.32 114.27 12.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.505 0.669 . . . . 0.0 110.07 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 63' ' ' LEU . 61.3 tp -90.25 114.52 26.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.94 172.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.486 HH21 ' NH1' ' A' ' 54' ' ' ARG . 38.2 ttm180 -119.7 144.01 47.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.434 0.635 . . . . 0.0 110.564 -173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 58' ' ' THR . 3.4 tt -105.91 141.44 37.3 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 176.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' A' ' 57' ' ' LEU . 46.0 p -101.64 146.93 27.04 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.612 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.6 p 17.48 -83.61 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.891 1.276 . . . . 0.0 112.724 -177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 5.7 tp60 -155.05 11.41 0.35 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -78.2 -65.68 0.95 Allowed 'General case' 0 C--O 1.241 0.65 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.632 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -155.57 -171.46 3.79 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.35 0.406 . . . . 0.0 109.967 -176.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -130.67 159.96 35.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -151.73 171.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 C-N-CA 123.564 0.745 . . . . 0.0 111.368 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.9 tp -104.85 150.65 24.65 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' ' 54' ' ' ARG . 13.0 t -159.81 155.29 25.55 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mptt . . . . . 0 C--O 1.251 1.143 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -177.227 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 69.0 mtm . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 41.9 ttp 71.24 100.99 0.06 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.224 0.609 . . . . 0.0 111.664 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -75.86 78.88 2.77 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 122.046 0.926 . . . . 0.0 109.745 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.19 121.58 23.84 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.711 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 88.18 4.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.294 0.568 . . . . 0.0 109.874 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -117.08 -8.97 11.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.049 176.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -123.0 100.09 6.71 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.411 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.445 ' N ' HD23 ' B' ' 8' ' ' LEU . 2.0 pt? -160.24 134.45 7.35 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 123.599 0.562 . . . . 0.0 110.703 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.54 65.09 3.86 Favored Glycine 0 N--CA 1.449 -0.458 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -27.03 68.8 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.233 0.613 . . . . 0.0 111.956 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.92 120.05 50.34 Favored Pre-proline 0 C--O 1.238 0.482 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.398 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.74 -26.17 27.95 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.852 2.368 . . . . 0.0 111.575 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -167.27 -174.18 2.51 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 123.974 0.796 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -132.27 85.25 2.22 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.972 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.56 106.16 15.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.89 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.02 89.05 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.4 m -79.08 86.38 4.92 Favored 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 15.2 m -117.82 98.18 51.4 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.567 -174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -70.08 77.29 1.2 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.799 1.666 . . . . 0.0 110.777 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.57 -32.27 77.63 Favored Glycine 0 C--O 1.241 0.593 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.433 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.7 24.65 4.31 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.273 -0.489 . . . . 0.0 112.715 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -91.55 104.88 17.32 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 121.172 0.51 . . . . 0.0 109.717 177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.77 124.2 46.07 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.711 0.404 . . . . 0.0 110.123 -177.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.28 107.93 20.51 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-O 120.909 0.385 . . . . 0.0 111.037 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.439 HG12 ' HB3' ' B' ' 36' ' ' GLU . 29.7 m -108.72 146.72 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.545 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -108.89 158.27 17.84 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 121.48 0.657 . . . . 0.0 112.01 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.6 mp -121.43 124.54 72.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 CA-C-N 114.347 -1.297 . . . . 0.0 108.434 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.434 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.0 m -98.69 97.48 6.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.06 0.457 . . . . 0.0 110.368 -177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 23' ' ' ARG . . . 78.1 -74.79 1.98 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -158.24 20.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.434 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.0 tt0 -110.32 159.29 17.56 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.349 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 13.0 tt -160.69 152.07 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.681 0 O-C-N 123.817 0.698 . . . . 0.0 109.293 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.68 132.1 42.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.325 -0.234 . . . . 0.0 111.355 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.1 t -59.3 -38.42 80.17 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 35' ' ' ARG . 0.0 OUTLIER -64.26 -29.16 70.27 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.643 0.258 . . . . 0.0 111.059 -175.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.439 ' HB3' HG12 ' B' ' 25' ' ' VAL . 59.7 mm-40 -60.02 -41.63 92.59 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.332 0.587 . . . . 0.0 110.273 176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.12 -52.99 10.87 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.21 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -88.0 32.11 0.76 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.742 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.552 HG23 HG23 ' B' ' 40' ' ' VAL . 7.4 t -67.91 -28.33 67.41 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.019 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.552 HG23 HG23 ' B' ' 39' ' ' THR . 60.0 t -103.09 -76.89 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.245 0.545 . . . . 0.0 110.458 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.67 177.17 5.57 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -111.37 20.14 17.57 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.093 0.473 . . . . 0.0 110.785 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.89 137.77 26.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.453 0.644 . . . . 0.0 110.127 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.7 mm -126.22 143.97 37.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 123.576 0.75 . . . . 0.0 109.318 -177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.52 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 47.3 t -104.84 142.75 17.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 69.6 mt -133.48 109.44 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.9 136.26 33.36 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.217 0.532 . . . . 0.0 110.329 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 53.2 t60 -144.59 99.8 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.678 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.4 -86.81 1.37 Allowed Glycine 0 C--N 1.318 -0.452 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -140.6 -12.24 1.01 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 120.886 0.374 . . . . 0.0 110.176 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -102.06 169.72 8.57 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -131.91 130.94 42.24 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -173.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -112.53 168.58 9.54 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.677 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HB2' HG23 ' B' ' 66' ' ' THR . 63.8 mtp180 -133.64 113.99 13.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.758 0.423 . . . . 0.0 110.459 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 64' ' ' ILE . 45.7 tp -91.25 114.76 27.37 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 173.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttt85 -119.75 143.85 47.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.561 0.219 . . . . 0.0 110.94 -173.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.481 HD12 ' O ' ' B' ' 62' ' ' LYS . 45.0 tp -104.82 140.69 37.73 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.42 ' O ' ' N ' ' B' ' 60' ' ' GLN . 62.8 p -102.63 146.62 27.9 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 18.7 m 16.62 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.219 1.007 . . . . 0.0 113.007 -176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 58' ' ' THR . 36.7 tt0 -154.68 10.99 0.36 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.04 -65.77 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.14 -1.391 . . . . 0.0 111.148 -172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.481 ' O ' HD12 ' B' ' 57' ' ' LEU . 63.1 pttt -156.54 -171.02 3.53 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.265 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.6 pt? -131.29 160.12 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.427 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -151.99 172.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 O-C-N 123.957 0.786 . . . . 0.0 109.959 -173.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.64 HD13 ' N ' ' B' ' 66' ' ' THR . 3.2 tm? -104.71 150.92 24.32 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.64 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.4 t -160.89 159.12 29.34 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 123.285 0.366 . . . . 0.0 110.031 -176.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.451 -0.785 . . . . 0.0 109.844 178.048 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 2' ' ' MET . 23.0 mmt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 1' ' ' MET . 1.4 mpt? -133.7 88.31 2.46 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 124.062 0.852 . . . . 0.0 109.231 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -74.93 153.49 38.58 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.984 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.83 112.95 16.49 Favored 'General case' 0 C--O 1.249 1.045 0 C-N-CA 122.782 0.433 . . . . 0.0 111.012 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -62.68 129.76 41.98 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 122.86 0.464 . . . . 0.0 110.36 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -61.78 156.53 20.22 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 122.376 0.27 . . . . 0.0 111.267 -175.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -150.31 -171.43 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.6 mt -76.22 -176.24 3.5 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.313 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.3 -15.6 25.09 Favored Glycine 0 C--N 1.335 0.5 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.702 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.47 56.92 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.808 0.813 . . . . 0.0 110.184 174.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -82.8 147.64 55.54 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.109 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.63 125.5 10.1 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.975 1.784 . . . . 0.0 112.699 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 p -86.32 10.12 15.83 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.041 0.536 . . . . 0.0 110.483 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -57.82 137.19 56.86 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.475 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.49 141.89 29.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.177 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.05 115.53 29.18 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 32.3 t -82.57 -169.97 2.73 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.843 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 m -108.62 94.03 13.2 Favored Pre-proline 0 C--O 1.244 0.767 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 17' ' ' SER . 11.3 Cg_exo -70.7 146.69 55.02 Favored 'Trans proline' 0 C--O 1.244 0.793 0 C-N-CA 122.946 2.43 . . . . 0.0 110.568 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.26 -97.93 1.72 Allowed Glycine 0 C--O 1.241 0.533 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.649 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 147.29 138.01 3.05 Favored Glycine 0 C--O 1.22 -0.747 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.69 102.39 15.08 Favored 'General case' 0 C--O 1.245 0.834 0 O-C-N 122.365 -0.491 . . . . 0.0 111.696 -175.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -89.68 147.1 24.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.696 170.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.56 131.7 54.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.4 0.438 . . . . 0.0 110.867 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.8 m -122.69 141.81 41.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.9 p -104.0 157.11 17.33 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.249 0.547 . . . . 0.0 112.375 -176.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD12 ' C ' ' A' ' 26' ' ' SER . 2.1 mp -129.18 129.83 67.75 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 113.976 -1.466 . . . . 0.0 108.325 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 28' ' ' VAL . 18.8 m -102.75 97.87 6.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.225 0.536 . . . . 0.0 109.62 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.65 -73.45 2.25 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -158.98 21.55 0.2 Allowed 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.055 -0.573 . . . . 0.0 110.15 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB3' HG23 ' A' ' 28' ' ' VAL . 23.1 tm0? -107.48 150.89 26.28 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.293 -176.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG12 ' N ' ' A' ' 33' ' ' ASP . 13.9 tt -159.27 161.43 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.197 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' N ' HG12 ' A' ' 32' ' ' ILE . 7.6 t70 -114.13 144.93 42.35 Favored 'General case' 0 C--O 1.238 0.458 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -64.35 -23.12 67.18 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.026 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.569 ' NH1' ' HB ' ' A' ' 39' ' ' THR . 30.6 tpt85 -66.96 -38.03 85.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.97 -177.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.72 -46.02 90.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.331 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.98 -50.41 23.43 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.197 -0.911 . . . . 0.0 111.404 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.6 m-85 -95.45 29.95 2.41 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.209 -172.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 ' HB ' ' NH1' ' A' ' 35' ' ' ARG . 3.0 t -68.56 -41.69 79.41 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.768 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG23 HG23 ' A' ' 39' ' ' THR . 58.5 t -100.29 -64.77 1.41 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 O-C-N 121.741 -0.599 . . . . 0.0 110.079 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.2 179.8 6.57 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 58' ' ' THR . 54.8 ttp180 -128.15 14.83 6.76 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -146.33 134.53 21.68 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 115.366 -0.834 . . . . 0.0 108.932 177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.9 mm -121.11 139.92 46.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 O-C-N 123.748 0.655 . . . . 0.0 109.75 -177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.0 t -100.17 137.62 27.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.551 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.446 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.2 mt -128.77 108.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 C-N-CA 123.486 0.714 . . . . 0.0 109.268 -172.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.66 136.44 33.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.642 0.258 . . . . 0.0 110.743 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -147.43 97.02 2.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 176.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.82 -89.64 1.16 Allowed Glycine 0 C--O 1.242 0.652 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.492 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -130.0 -28.6 2.16 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 122.553 0.341 . . . . 0.0 110.381 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 34.5 t0 -77.69 151.59 34.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HE ' ' C ' ' A' ' 51' ' ' ASP . 3.0 mmp_? -116.81 118.33 32.22 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 88.1 m-85 -106.0 159.03 16.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.619 -178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -133.69 111.15 10.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -88.35 110.33 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 56' ' ' ARG . 28.0 ttp180 -115.68 143.37 45.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.645 0.26 . . . . 0.0 110.841 -172.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 58' ' ' THR . 2.7 tt -114.16 140.5 48.47 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.56 ' N ' HD23 ' A' ' 57' ' ' LEU . 61.3 p -72.79 -177.76 2.46 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.862 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 m -49.95 -35.14 22.97 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 120.726 0.298 . . . . 0.0 110.918 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -175.11 -22.72 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 122.842 0.457 . . . . 0.0 111.563 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -49.59 -70.34 0.09 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 124.235 0.959 . . . . 0.0 111.448 -174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.407 ' H ' ' HG1' ' A' ' 58' ' ' THR . 1.2 pptp? -158.37 -165.37 1.67 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.381 -177.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.531 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.1 pt? -134.85 162.54 32.1 Favored 'General case' 0 C--O 1.25 1.113 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -148.58 171.35 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 C-N-CA 122.861 0.464 . . . . 0.0 110.495 -174.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.7 tp -111.11 143.76 41.32 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.404 HG21 ' CZ ' ' A' ' 56' ' ' ARG . 14.9 t -166.19 173.67 9.98 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.127 0.489 . . . . 0.0 110.859 -170.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.9 pttt . . . . . 0 C--O 1.247 0.941 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 166.161 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.7 mtt . . . . . 0 C--O 1.239 0.509 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -167.8 25.8 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.773 0.796 . . . . 0.0 110.0 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -61.93 93.99 0.05 OUTLIER 'General case' 0 C--O 1.241 0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.588 -174.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -169.0 78.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.314 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -109.35 90.27 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -149.93 113.82 5.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.315 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -152.68 118.94 5.53 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 122.788 0.435 . . . . 0.0 111.277 -175.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -163.45 159.12 21.84 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.328 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.47 67.8 0.53 Allowed Glycine 0 C--N 1.338 0.676 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.92 87.64 0.25 Allowed 'General case' 0 C--O 1.24 0.598 0 CA-C-N 116.996 0.398 . . . . 0.0 110.353 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -110.65 122.33 38.61 Favored Pre-proline 0 C--N 1.32 -0.7 0 O-C-N 124.318 1.011 . . . . 0.0 110.105 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -78.4 -18.31 12.45 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.184 2.589 . . . . 0.0 113.858 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 9.2 m 57.17 38.21 28.8 Favored 'General case' 0 C--O 1.244 0.781 0 O-C-N 124.34 1.025 . . . . 0.0 110.109 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -78.77 108.96 12.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.316 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.89 -62.89 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.861 0.464 . . . . 0.0 110.284 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 57.41 78.32 0.24 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.518 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -78.33 125.4 29.3 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 123.021 0.528 . . . . 0.0 110.008 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -154.96 112.45 2.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 123.087 0.242 . . . . 0.0 110.844 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -75.48 142.78 26.84 Favored 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.988 2.459 . . . . 0.0 111.915 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.37 7.8 Favored Glycine 0 N--CA 1.453 -0.198 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.01 87.2 0.31 Allowed Glycine 0 C--O 1.243 0.663 0 N-CA-C 112.409 -0.277 . . . . 0.0 112.409 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.02 129.47 35.26 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.077 -0.66 . . . . 0.0 109.386 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.465 HH21 HG12 ' B' ' 25' ' ' VAL . 5.4 ptm85 -131.77 149.12 52.57 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -173.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -109.58 133.18 53.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.045 -178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.465 HG12 HH21 ' B' ' 23' ' ' ARG . 26.8 m -123.45 141.73 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.348 177.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.532 ' C ' HD12 ' B' ' 27' ' ' ILE . 10.8 p -103.82 156.44 17.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 122.075 0.94 . . . . 0.0 112.233 -175.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.586 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.1 mp -128.48 129.75 68.94 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 114.246 -1.343 . . . . 0.0 109.227 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' B' ' 31' ' ' GLN . 18.0 m -103.31 98.32 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.748 0.785 . . . . 0.0 110.023 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.64 -74.27 2.14 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -157.72 21.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.871 0.367 . . . . 0.0 110.33 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.46 ' HB3' HG23 ' B' ' 28' ' ' VAL . 24.8 tm0? -107.08 150.64 26.33 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.975 -175.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -159.47 160.22 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.275 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -113.99 145.76 41.1 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.097 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.4 ' O ' ' HD2' ' B' ' 38' ' ' PHE . 59.7 p -64.74 -21.79 66.84 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.822 0.701 . . . . 0.0 111.216 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -69.2 -37.33 78.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.399 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.88 -44.72 95.35 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.029 0.831 . . . . 0.0 111.949 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -73.29 -51.11 18.76 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.634 -178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' B' ' 34' ' ' SER . 89.3 m-85 -95.47 30.98 2.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.724 -172.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.432 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 9.7 t -69.47 -41.62 75.95 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.656 0.597 . . . . 0.0 111.264 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.653 HG23 ' H ' ' B' ' 41' ' ' ASP . 9.1 m -99.78 -64.44 1.46 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.658 0 O-C-N 122.021 -0.425 . . . . 0.0 111.114 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.653 ' H ' HG23 ' B' ' 40' ' ' VAL . 4.4 t70 -87.38 -178.5 6.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 57' ' ' LEU . 34.6 ttm180 -129.3 14.51 6.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 122.275 1.036 . . . . 0.0 109.983 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.422 ' CD ' HH21 ' B' ' 54' ' ' ARG . 41.6 tt0 -147.35 135.6 21.57 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.602 -1.636 . . . . 0.0 109.213 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.61 139.54 48.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 122.868 0.467 . . . . 0.0 109.899 -176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.82 136.97 28.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 49.8 mt -128.77 109.8 19.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -173.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.71 136.61 33.65 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.593 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -146.62 96.95 2.84 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.721 0.296 . . . . 0.0 110.428 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.02 -89.78 1.18 Allowed Glycine 0 C--N 1.34 0.778 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 176.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -129.37 -28.19 2.34 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.219 0.533 . . . . 0.0 110.932 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.13 152.33 32.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -116.63 118.17 31.85 Favored 'General case' 0 C--O 1.243 0.713 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.924 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.55 ' HD2' HD11 ' B' ' 65' ' ' LEU . 91.3 m-85 -105.28 158.86 16.32 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 123.26 0.624 . . . . 0.0 111.015 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' B' ' 43' ' ' GLU . 37.1 mtp180 -135.81 110.77 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -88.13 111.97 22.18 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 173.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -116.55 144.27 44.57 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 -172.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.555 HD23 ' N ' ' B' ' 58' ' ' THR . 3.0 tt -114.83 140.27 49.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.555 ' N ' HD23 ' B' ' 57' ' ' LEU . 51.1 p -72.32 -177.14 2.05 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.319 177.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -51.21 -36.0 39.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.356 0.598 . . . . 0.0 110.167 178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -174.43 -20.86 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.649 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -50.72 -71.09 0.07 Allowed 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.602 0.761 . . . . 0.0 111.302 -174.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -158.04 -165.76 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.878 0.471 . . . . 0.0 110.042 -177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.518 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 1.8 pt? -134.28 161.87 33.75 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.75 171.39 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 123.21 0.604 . . . . 0.0 111.036 -175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.579 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -110.69 143.02 41.81 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.579 ' N ' HD13 ' B' ' 65' ' ' LEU . 6.0 t -163.95 164.81 23.11 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.816 -0.552 . . . . 0.0 110.504 -172.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.588 -0.72 . . . . 0.0 109.877 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.6 mtp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.502 0.191 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ttt -156.71 85.57 0.97 Allowed 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 m -92.35 -10.73 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.763 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.47 88.76 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.729 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 p -158.97 31.22 0.21 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.146 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.42 ' HA ' ' NH1' ' A' ' 7' ' ' ARG . 21.7 t70 -65.71 153.72 40.96 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.022 -176.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -85.82 90.28 8.0 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.9 179.559 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.3 mt -80.89 108.94 14.99 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.469 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.69 101.39 0.29 Allowed Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.883 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.54 125.67 36.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.838 0.351 . . . . 0.0 110.282 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -111.95 109.29 55.01 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.852 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.3 122.71 8.58 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.139 2.559 . . . . 0.0 111.662 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 t -73.17 95.35 2.07 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.906 0.86 . . . . 0.0 109.78 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -96.63 -178.78 4.37 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.279 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 66.51 11.39 8.04 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.635 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.2 88.5 6.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -81.92 119.7 24.28 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.206 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 m -78.41 117.01 63.73 Favored Pre-proline 0 N--CA 1.456 -0.161 0 CA-C-O 120.97 0.414 . . . . 0.0 111.026 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.36 107.08 1.51 Allowed 'Trans proline' 0 C--O 1.242 0.72 0 C-N-CA 122.37 2.046 . . . . 0.0 111.145 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.82 81.74 0.18 Allowed Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.99 60.46 0.58 Allowed Glycine 0 C--N 1.335 0.508 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.01 126.95 33.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.397 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 9.6 ptp180 -116.65 131.91 56.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.73 112.65 24.55 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.559 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' B' ' 25' ' ' VAL . 16.3 m -110.57 137.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.265 0.555 . . . . 0.0 109.717 -179.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' C ' HD12 ' A' ' 27' ' ' ILE . 44.0 m -97.36 147.42 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.581 0.705 . . . . 0.0 111.667 -174.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.469 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -122.0 126.06 73.96 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.831 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.6 m -98.1 97.23 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.379 0 CA-C-O 121.506 0.67 . . . . 0.0 109.295 -177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' B' ' 20' ' ' GLY . . . 78.75 -71.16 2.6 Favored Glycine 0 C--N 1.335 0.483 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 -175.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -161.72 19.87 0.11 Allowed 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 172.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' O ' HG22 ' A' ' 28' ' ' VAL . 26.5 tt0 -119.85 123.62 44.08 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.125 0.488 . . . . 0.0 110.45 -175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 16.4 tt -119.06 156.17 21.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.509 169.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -91.27 143.63 26.45 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.162 -0.336 . . . . 0.0 110.349 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -61.08 -23.46 65.49 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 123.745 0.653 . . . . 0.0 110.455 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' O ' ' HB ' ' A' ' 39' ' ' THR . 19.1 tpt180 -63.45 -46.83 84.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.333 0.587 . . . . 0.0 110.835 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -58.04 -39.15 77.68 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.496 -174.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HB3' HG13 ' A' ' 44' ' ' ILE . 94.5 mt -75.76 -51.37 12.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.057 0.456 . . . . 0.0 111.839 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -101.72 18.36 20.61 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -170.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 7.5 t -61.21 -39.91 91.99 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.197 0.311 . . . . 0.0 110.348 177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.531 ' O ' ' HB2' ' A' ' 41' ' ' ASP . 39.7 t -132.69 70.26 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 4.7 t70 166.01 171.07 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.459 HH21 HD23 ' A' ' 57' ' ' LEU . 6.0 tpm_? -117.19 -14.75 10.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 118.079 0.4 . . . . 0.0 110.739 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -150.67 143.42 24.56 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.46 0.647 . . . . 0.0 110.739 -172.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' ' 37' ' ' LEU . 47.0 mm -122.5 139.32 49.77 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.347 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -100.07 142.94 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.322 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 37.4 mt -132.71 101.12 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 123.883 0.873 . . . . 0.0 110.268 -175.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.04 137.49 34.1 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.529 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -146.05 99.51 3.26 Favored 'General case' 0 C--O 1.246 0.901 0 O-C-N 122.194 -0.316 . . . . 0.0 110.3 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.24 -102.29 2.91 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 175.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -125.15 -7.85 7.1 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.228 0.537 . . . . 0.0 110.639 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.37 162.9 13.64 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.5 mtm180 -128.27 128.69 45.12 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.913 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 59.8 m-85 -108.21 161.03 15.37 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 124.389 1.056 . . . . 0.0 109.914 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.734 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 48.1 mtp180 -134.35 109.78 9.02 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.706 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 47.0 tp -87.2 112.53 22.09 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 173.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -116.76 138.43 51.48 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.042 0.449 . . . . 0.0 110.32 -172.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.459 HD23 HH21 ' A' ' 42' ' ' ARG . 57.1 tp -115.61 143.85 44.76 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.5 p -83.39 179.07 7.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.25 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.404 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 15.1 m -65.62 -15.05 62.38 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -176.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -175.15 -37.46 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -60.72 -76.11 0.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.454 -169.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -170.29 3.59 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 122.067 -0.396 . . . . 0.0 111.897 -172.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -136.78 160.41 38.92 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 123.229 0.612 . . . . 0.0 110.013 177.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.46 171.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 O-C-N 123.696 0.622 . . . . 0.0 110.265 -175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.1 tp -105.98 150.59 25.56 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.8 t -165.08 177.65 7.59 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.734 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 43.8 pttt . . . . . 0 C--O 1.246 0.919 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.303 173.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.514 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 120.555 0.217 . . . . 0.0 110.457 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.468 ' N ' ' SD ' ' B' ' 2' ' ' MET . 1.1 mpt? -66.15 108.22 2.19 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.486 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 49.7 m -71.8 92.94 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.205 0.526 . . . . 0.0 110.189 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.41 126.35 5.21 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.267 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -151.8 108.47 3.49 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -128.96 154.14 46.86 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 121.187 0.518 . . . . 0.0 111.069 -173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -174.8 85.01 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.705 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.511 ' O ' HD12 ' B' ' 8' ' ' LEU . 2.8 pp -65.75 143.9 57.22 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.104 -177.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.2 76.74 1.3 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.379 -0.689 . . . . 0.0 111.379 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 8' ' ' LEU . . . -83.24 17.59 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.963 0.411 . . . . 0.0 111.72 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -89.69 113.29 56.25 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -84.57 13.86 2.62 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.562 2.841 . . . . 0.0 111.798 175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -36.77 98.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.393 -173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -145.84 96.7 2.85 Favored 'General case' 0 C--O 1.244 0.808 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.06 74.38 0.65 Allowed 'General case' 0 C--O 1.252 1.211 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.984 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.34 82.08 0.76 Allowed 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.18 0.514 . . . . 0.0 110.055 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 63.7 m -109.19 62.15 0.6 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.964 0.888 . . . . 0.0 109.089 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.428 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 20.4 m -65.53 133.45 95.26 Favored Pre-proline 0 C--O 1.24 0.575 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.236 -175.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 18' ' ' SER . 32.5 Cg_exo -58.56 91.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.241 0.664 0 C-N-CA 123.04 2.493 . . . . 0.0 110.889 175.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -81.89 117.95 4.52 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.944 -174.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.64 97.05 0.91 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.798 -0.239 . . . . 0.0 112.864 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 119.33 27.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 176.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -113.57 132.12 55.84 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.83 112.44 24.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.859 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.559 HG23 HG23 ' A' ' 25' ' ' VAL . 35.9 m -109.62 137.64 40.86 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.568 0.699 . . . . 0.0 109.819 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 7.2 p -95.74 147.85 23.19 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.526 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 10.6 mm -123.04 126.34 73.51 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 31' ' ' GLN . 21.9 m -98.52 96.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 -177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.05 -70.36 2.94 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 -176.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -162.64 20.04 0.09 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.449 ' O ' HG22 ' B' ' 28' ' ' VAL . 53.3 tt0 -119.99 123.21 42.94 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.151 0.5 . . . . 0.0 111.011 -176.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.8 tt -117.76 156.29 19.37 Favored 'Isoleucine or valine' 0 C--N 1.339 0.117 0 C-N-CA 123.02 0.528 . . . . 0.0 110.534 169.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.73 145.6 24.44 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-O 122.141 0.972 . . . . 0.0 109.492 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 t -62.81 -22.3 66.53 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.338 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.454 ' O ' ' HB ' ' B' ' 39' ' ' THR . 36.9 mmt180 -65.11 -45.88 83.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.679 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -58.67 -39.2 79.95 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.057 0.456 . . . . 0.0 111.636 -174.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.469 ' HB3' HG13 ' B' ' 44' ' ' ILE . 97.3 mt -75.97 -51.22 12.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.665 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' B' ' 44' ' ' ILE . 86.4 m-85 -101.63 18.66 19.75 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -170.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.454 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.2 t -61.93 -39.07 90.81 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.546 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 51.9 t -133.27 71.57 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 CA-C-O 121.494 0.664 . . . . 0.0 109.783 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 4.1 t70 164.96 170.9 0.02 OUTLIER 'General case' 0 C--O 1.245 0.856 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.437 HH21 HD23 ' B' ' 57' ' ' LEU . 3.4 tpm_? -118.11 -13.8 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.883 0.765 . . . . 0.0 111.224 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.67 143.95 24.89 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.719 -172.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.469 HG13 ' HB3' ' B' ' 37' ' ' LEU . 42.9 mm -123.44 138.79 52.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.189 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -99.55 142.91 14.34 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 68.1 mt -132.7 102.52 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -176.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 136.47 34.2 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.818 0.342 . . . . 0.0 110.267 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -146.0 98.85 3.17 Favored 'General case' 0 C--O 1.22 -0.459 0 O-C-N 122.098 -0.376 . . . . 0.0 110.366 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.64 -101.01 2.72 Favored Glycine 0 N--CA 1.435 -1.385 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 176.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -124.46 -8.84 7.46 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 169.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -93.37 164.62 13.14 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.359 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -130.34 127.54 39.64 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 122.718 0.407 . . . . 0.0 110.157 -177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -107.83 162.83 13.64 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.087 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.807 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 50.1 mtp180 -135.86 110.15 8.41 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.146 0.498 . . . . 0.0 109.978 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 44.9 tp -87.67 112.48 22.39 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -117.3 137.23 52.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.605 0.24 . . . . 0.0 110.489 -172.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.45 HD12 ' O ' ' B' ' 62' ' ' LYS . 65.1 tp -114.41 144.94 42.49 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.377 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 43.4 p -84.19 179.16 7.54 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 m -66.61 -13.73 61.49 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -175.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.328 0.585 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -61.25 -74.22 0.08 Allowed 'General case' 0 C--O 1.246 0.897 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.026 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.45 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -151.52 -170.57 3.69 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.571 -0.705 . . . . 0.0 111.128 -172.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -136.98 162.18 34.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.345 0.593 . . . . 0.0 109.505 176.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.41 171.29 1.5 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.937 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.181 -174.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 28.1 tp -105.65 151.15 24.74 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.538 HG23 ' HB2' ' B' ' 54' ' ' ARG . 14.6 t -165.03 178.58 6.96 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.807 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 13.8 pttp . . . . . 0 C--O 1.24 0.603 0 O-C-N 123.957 0.786 . . . . 0.0 110.014 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ttt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -65.76 101.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.163 0.289 . . . . 0.0 110.606 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.9 m -77.83 103.82 8.0 Favored 'General case' 0 C--N 1.31 -1.133 0 C-N-CA 122.716 0.406 . . . . 0.0 109.92 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.95 -13.09 61.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.612 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -63.85 94.82 0.1 Allowed 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.703 0.627 . . . . 0.0 110.337 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -122.65 164.47 18.18 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -78.53 -17.53 56.06 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.278 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt 68.62 -71.58 0.11 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.454 0.702 . . . . 0.0 110.872 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.2 41.79 99.54 Favored Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 -175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.79 7.75 41.65 Favored 'General case' 0 C--O 1.242 0.674 0 O-C-N 124.235 0.609 . . . . 0.0 111.622 -174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.6 m-20 -61.82 125.98 86.11 Favored Pre-proline 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.789 177.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 40.1 Cg_exo -59.12 152.65 57.75 Favored 'Trans proline' 0 N--CA 1.483 0.863 0 C-N-CA 122.786 2.324 . . . . 0.0 112.389 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.4 m -89.81 112.78 24.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.03 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -66.53 101.59 0.79 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.903 0.752 . . . . 0.0 109.598 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.9 108.6 19.81 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.477 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.56 135.43 35.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.9 m -58.36 97.71 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.079 0.466 . . . . 0.0 111.156 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 p -87.55 103.53 4.86 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.403 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.518 ' HD3' ' O ' ' A' ' 17' ' ' SER . 43.8 Cg_endo -92.1 171.92 2.56 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.462 2.108 . . . . 0.0 114.017 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -157.38 123.77 1.33 Allowed Glycine 0 C--O 1.239 0.407 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.81 92.56 0.39 Allowed Glycine 0 C--O 1.222 -0.602 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.255 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.21 119.06 35.76 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.929 0.492 . . . . 0.0 110.522 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.559 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.8 ptp180 -115.94 142.25 47.03 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.484 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.92 114.26 27.87 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 121.17 0.51 . . . . 0.0 110.757 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -110.02 146.08 15.77 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -107.88 158.02 17.69 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.473 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.6 mp -123.79 126.91 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 28' ' ' VAL . 27.9 m -103.41 104.15 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-O 121.387 0.613 . . . . 0.0 110.018 -176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.71 -72.63 1.98 Allowed Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.606 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -156.16 12.41 0.3 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.285 173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -120.57 140.79 51.0 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.57 -0.707 . . . . 0.0 109.769 -172.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.5 tt -134.87 146.9 29.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.632 170.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -86.46 134.92 33.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.686 0.279 . . . . 0.0 110.394 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.7 p -61.97 -29.29 70.14 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.36 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.58 -34.77 76.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.105 0.479 . . . . 0.0 110.417 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -60.54 -42.73 97.12 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.746 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.0 -50.27 43.23 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.536 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -91.06 27.75 1.77 Allowed 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.893 -176.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -57.55 -29.34 64.31 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.766 0.666 . . . . 0.0 111.43 -177.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.73 -41.96 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 C-N-CA 122.854 0.462 . . . . 0.0 111.789 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -103.25 110.82 22.93 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.326 0.391 . . . . 0.0 110.411 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.452 ' HG3' ' HB3' ' A' ' 57' ' ' LEU . 34.5 ttm180 -67.72 8.21 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.841 0.713 . . . . 0.0 112.54 178.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -140.8 134.26 29.93 Favored 'General case' 0 N--CA 1.436 -1.132 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -127.48 141.33 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.3 109.83 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.2 mt -88.83 104.39 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.916 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 140.68 30.52 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 120.992 0.425 . . . . 0.0 110.655 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -148.79 102.89 3.33 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 122.049 -0.407 . . . . 0.0 111.051 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.06 -114.89 3.97 Favored Glycine 0 CA--C 1.495 -1.179 0 N-CA-C 110.066 -1.214 . . . . 0.0 110.066 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -102.5 -20.02 14.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.068 0.937 . . . . 0.0 110.986 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.94 169.11 9.19 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.576 -173.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -134.95 133.23 39.33 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.858 -175.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -106.79 163.11 13.2 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 124.088 0.868 . . . . 0.0 109.264 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -124.63 110.13 14.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.29 109.53 20.8 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 170.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 56' ' ' ARG . 23.6 ttt180 -122.79 140.68 52.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.887 0.375 . . . . 0.0 110.181 -169.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 62' ' ' LYS . 44.5 tp -107.88 150.32 27.2 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.529 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 59' ' ' SER . 35.9 p -103.17 149.69 24.41 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 172.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 58' ' ' THR . 19.7 m 0.28 -75.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.353 1.061 . . . . 0.0 113.314 -173.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -147.13 5.65 0.85 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.338 0.655 . . . . 0.0 109.333 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -69.01 -75.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.526 0.73 . . . . 0.0 111.444 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' O ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -150.17 -179.24 7.02 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.822 0.449 . . . . 0.0 110.557 -175.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.45 166.52 22.97 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -149.39 170.22 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 124.091 0.87 . . . . 0.0 109.685 -177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 46.5 tp -128.4 115.24 17.92 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.7 t -136.13 153.72 51.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.327 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.033 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.2 ttt 178.54 115.14 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.1 p -70.49 74.23 0.54 Allowed 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.441 0.638 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.25 95.11 9.08 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.768 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -71.0 85.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 123.539 0.525 . . . . 0.0 109.995 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.27 120.02 23.15 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.588 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt85 -156.77 149.24 23.37 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 123.598 0.561 . . . . 0.0 110.554 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.9 mt -102.73 169.75 8.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.016 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.85 58.55 0.36 Allowed Glycine 0 CA--C 1.507 -0.419 0 CA-C-N 116.515 -0.311 . . . . 0.0 112.685 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.62 89.46 3.08 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 110.611 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 119.78 78.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.914 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -52.75 -47.97 24.52 Favored 'Trans proline' 0 C--O 1.237 0.457 0 C-N-CA 122.238 1.959 . . . . 0.0 112.155 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m 73.55 -59.07 0.57 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.668 0.787 . . . . 0.0 111.005 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 67.62 105.7 0.05 OUTLIER 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.092 0.557 . . . . 0.0 111.734 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.12 119.14 17.91 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.636 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.21 146.3 25.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.317 0.579 . . . . 0.0 110.093 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -154.54 96.33 1.89 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.364 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.7 m -115.97 99.94 53.06 Favored Pre-proline 0 C--N 1.322 -0.603 0 O-C-N 123.767 0.667 . . . . 0.0 110.345 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -82.99 50.41 3.35 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 123.257 2.638 . . . . 0.0 110.267 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.94 55.04 4.76 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-O 121.8 0.667 . . . . 0.0 113.037 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.13 106.46 2.68 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.255 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.57 112.34 24.57 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 123.238 0.615 . . . . 0.0 109.522 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.427 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 17.6 ptt-85 -118.32 141.22 48.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.994 0.426 . . . . 0.0 110.913 -172.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.27 114.52 28.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.797 176.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 146.07 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.425 ' C ' HD12 ' B' ' 27' ' ' ILE . 34.7 p -108.35 157.72 18.13 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.398 0.618 . . . . 0.0 112.581 -175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' HG2' ' A' ' 23' ' ' ARG . 3.2 mp -124.32 126.6 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 m -103.11 105.31 18.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.472 0.653 . . . . 0.0 110.47 -176.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.39 -73.08 1.86 Allowed Glycine 0 C--O 1.227 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -156.72 11.48 0.24 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -119.26 152.84 35.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.365 0.603 . . . . 0.0 109.992 -173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.52 ' HB ' HG13 ' B' ' 27' ' ' ILE . 15.5 tt -150.33 138.82 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.85 134.27 34.29 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -60.86 -30.02 69.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 122.785 0.434 . . . . 0.0 111.514 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -62.16 -34.61 76.73 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.63 0.728 . . . . 0.0 110.392 -176.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -60.35 -42.33 95.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.59 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.3 mt -70.33 -49.66 47.07 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.172 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HG ' ' B' ' 55' ' ' LEU . 57.9 m-85 -91.78 27.4 2.08 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 122.809 0.444 . . . . 0.0 111.018 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.8 t -57.53 -28.89 63.9 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.541 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -137.02 -42.05 0.39 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 116.802 -0.181 . . . . 0.0 110.627 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -101.75 111.29 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.831 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.499 ' HG3' ' HB3' ' B' ' 57' ' ' LEU . 36.5 ttm105 -67.39 7.93 0.39 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.509 -0.769 . . . . 0.0 113.027 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -140.9 134.5 30.12 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.784 173.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -127.79 140.22 49.75 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.169 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -104.26 110.79 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.8 mt -89.34 103.24 13.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.342 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.14 139.98 32.07 Favored 'General case' 0 C--O 1.242 0.709 0 O-C-N 121.931 -0.481 . . . . 0.0 110.49 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.32 101.84 3.29 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 121.903 -0.498 . . . . 0.0 111.635 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.58 -113.4 3.76 Favored Glycine 0 N--CA 1.444 -0.805 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -102.88 -21.11 14.05 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.487 0.184 . . . . 0.0 110.569 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -100.31 167.78 10.2 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.391 -173.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -134.49 132.21 38.96 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.077 0.551 . . . . 0.0 110.692 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -104.47 164.04 12.03 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.914 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -126.4 109.7 12.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.411 ' HG ' ' HZ ' ' B' ' 38' ' ' PHE . 39.7 tp -91.61 110.83 22.16 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 170.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -123.73 140.14 53.29 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.361 0.6 . . . . 0.0 110.497 -168.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.499 ' HB3' ' HG3' ' B' ' 42' ' ' ARG . 41.4 tp -107.15 150.52 26.5 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.016 -176.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' B' ' 59' ' ' SER . 42.1 p -102.88 149.89 24.06 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 172.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 58' ' ' THR . 22.6 t 0.15 -75.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.86 1.264 . . . . 0.0 112.912 -173.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -147.33 4.87 0.81 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.645 0.778 . . . . 0.0 109.286 171.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.438 ' OD1' ' HG3' ' B' ' 62' ' ' LYS . 4.4 t-20 -69.75 -74.57 0.13 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.919 -172.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.449 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.9 OUTLIER -150.81 -178.89 6.84 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.271 0.357 . . . . 0.0 111.021 -176.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.43 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.5 pt? -135.76 166.79 22.45 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -148.77 169.72 2.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 O-C-N 123.888 0.743 . . . . 0.0 109.639 -175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.9 tp -128.81 114.77 16.96 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.9 t -136.64 154.56 50.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.639 0.257 . . . . 0.0 111.034 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.177 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 171.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -169.32 70.45 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.199 0.523 . . . . 0.0 110.33 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -76.56 89.17 3.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.66 78.94 4.16 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.382 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -84.71 57.7 4.52 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.731 0.777 . . . . 0.0 110.462 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -78.57 150.45 32.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.404 177.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -152.12 147.39 26.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.79 -175.01 5.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.86 66.15 0.85 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.227 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.67 -28.49 15.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.202 0.525 . . . . 0.0 111.186 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.53 145.15 50.62 Favored Pre-proline 0 N--CA 1.448 -0.54 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.24 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.03 81.92 1.62 Allowed 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.661 2.24 . . . . 0.0 112.95 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -83.7 80.12 9.23 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -172.51 155.32 3.37 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.084 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.53 73.05 1.02 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.21 0.529 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.41 168.7 19.58 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.224 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.6 m -70.18 80.95 0.52 Allowed 'General case' 0 C--O 1.245 0.853 0 CA-C-O 120.807 0.336 . . . . 0.0 111.564 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -155.2 82.75 3.88 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.549 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.08 173.28 11.1 Favored 'Trans proline' 0 C--O 1.238 0.506 0 C-N-CA 122.53 2.153 . . . . 0.0 113.321 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.79 -22.65 16.57 Favored Glycine 0 C--O 1.236 0.278 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.172 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.3 -140.8 34.47 Favored Glycine 0 C--O 1.239 0.463 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.23 110.28 21.06 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 10.0 ptp180 -112.37 133.62 54.36 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.57 120.51 40.14 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.979 0.418 . . . . 0.0 109.964 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 29.8 m -115.92 144.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.185 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' C ' HD12 ' A' ' 27' ' ' ILE . 39.2 p -105.09 154.76 19.73 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -173.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.716 HG13 ' HB ' ' A' ' 32' ' ' ILE . 3.2 mp -128.34 134.31 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.983 176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.7 m -98.85 98.95 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 CA-C-O 122.381 1.086 . . . . 0.0 109.539 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' B' ' 17' ' ' SER . . . 79.6 -81.95 1.44 Allowed Glycine 0 N--CA 1.438 -1.193 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -150.14 21.6 0.86 Allowed 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.135 0.493 . . . . 0.0 109.803 173.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -118.7 118.9 32.87 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 122.129 -0.357 . . . . 0.0 110.572 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.716 ' HB ' HG13 ' A' ' 27' ' ' ILE . 13.9 tt -104.34 155.97 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 171.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' OD1' ' HG2' ' A' ' 35' ' ' ARG . 6.3 t0 -109.62 150.2 28.58 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-O 121.257 0.551 . . . . 0.0 110.262 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 m -60.08 -22.26 62.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.217 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HG2' ' OD1' ' A' ' 33' ' ' ASP . 2.0 mmt180 -64.87 -40.02 94.46 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.562 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.5 mm-40 -58.18 -52.79 64.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.501 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.0 mt -76.42 -53.13 8.58 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.9 -172.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' HB3' HH21 ' A' ' 42' ' ' ARG . 81.5 m-85 -92.27 30.94 1.36 Allowed 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.597 0.359 . . . . 0.0 111.379 -172.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 40' ' ' VAL . 9.0 t -65.3 -34.09 77.52 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.271 0.557 . . . . 0.0 110.959 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 HG23 ' A' ' 39' ' ' THR . 86.6 t -116.35 -61.28 2.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.216 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.03 175.79 7.09 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.745 0.418 . . . . 0.0 111.573 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.657 HH21 ' HB3' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -118.93 2.6 11.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 173.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -151.74 140.23 20.59 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.31 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' HB3' ' A' ' 37' ' ' LEU . 49.7 mm -126.02 145.0 34.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 C-N-CA 123.297 0.639 . . . . 0.0 109.927 -176.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.21 142.04 16.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.11 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 89.0 mt -131.51 112.52 21.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 122.874 0.47 . . . . 0.0 110.045 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.6 141.75 28.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 121.605 -0.684 . . . . 0.0 111.197 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -148.2 97.43 2.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.21 -72.13 1.83 Allowed Glycine 0 C--N 1.316 -0.563 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.17 -18.4 0.08 Allowed 'General case' 0 C--O 1.246 0.895 0 O-C-N 124.563 0.802 . . . . 0.0 109.281 171.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -79.69 157.6 27.17 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -132.47 130.88 41.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.259 0.552 . . . . 0.0 110.184 -172.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -112.6 170.81 7.92 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.524 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HB2' HG23 ' A' ' 66' ' ' THR . 59.4 mtm180 -137.08 110.81 8.11 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.7 tp -83.2 109.01 16.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -108.82 138.21 45.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.175 0.512 . . . . 0.0 110.99 -174.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 62' ' ' LYS . 42.9 tp -106.48 138.33 42.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.572 177.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 p -88.75 179.71 6.17 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 123.3 0.64 . . . . 0.0 110.366 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.6 m -63.25 76.81 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 62.91 -4.49 0.25 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.127 0.971 . . . . 0.0 113.437 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -71.3 -71.11 0.28 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 122.046 -0.409 . . . . 0.0 111.072 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 57' ' ' LEU . 57.7 pttt -151.67 -169.87 3.49 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.559 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.2 pt? -137.52 159.84 40.81 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.95 170.67 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.335 -173.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 tp -104.08 147.08 27.82 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.0 t -162.53 163.09 27.55 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt . . . . . 0 C--N 1.32 -0.695 0 CA-C-O 118.686 -0.673 . . . . 0.0 109.484 177.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.5 tpt . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 119.986 -0.054 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 49.2 ttp -68.38 143.64 55.04 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 123.735 0.647 . . . . 0.0 110.503 175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.6 p -66.41 95.3 0.31 Allowed 'General case' 0 C--O 1.243 0.755 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.88 132.55 36.39 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -66.8 86.58 0.13 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.26 117.38 19.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.083 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -168.09 157.34 9.51 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 72.9 mt -105.52 158.21 16.83 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.55 54.29 4.34 Favored Glycine 0 N--CA 1.463 0.436 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.15 153.19 21.15 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 123.206 0.602 . . . . 0.0 110.826 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.51 123.22 73.07 Favored Pre-proline 0 N--CA 1.468 0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.502 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.63 -23.07 30.96 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.943 1.762 . . . . 0.0 112.513 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 8.5 t -137.58 130.1 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.199 0.523 . . . . 0.0 110.311 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.0 pm0 -83.6 124.52 30.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.245 0.545 . . . . 0.0 109.764 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.591 ' HB2' HH21 ' B' ' 54' ' ' ARG . . . -63.57 -57.1 11.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.928 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 52.47 76.28 0.2 Allowed 'General case' 0 C--O 1.248 0.988 0 O-C-N 124.192 0.932 . . . . 0.0 111.327 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.417 ' O ' ' HA3' ' A' ' 29' ' ' GLY . 42.4 m -60.05 -13.74 13.13 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.839 -174.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m 70.71 120.51 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.827 0.851 . . . . 0.0 112.281 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.8 114.35 3.31 Favored 'Trans proline' 0 C--O 1.239 0.533 0 C-N-CA 123.168 2.579 . . . . 0.0 111.439 173.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.91 -170.46 53.91 Favored Glycine 0 N--CA 1.435 -1.404 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.26 51.19 6.25 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -78.55 129.21 34.57 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.026 -0.587 . . . . 0.0 111.18 -177.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.534 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 6.8 ptp180 -117.76 135.68 53.88 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.66 120.64 40.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 123.614 0.572 . . . . 0.0 110.45 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.571 ' HB ' ' HB3' ' B' ' 36' ' ' GLU . 28.5 m -116.76 145.63 22.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -106.8 155.37 19.79 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-O 122.271 1.034 . . . . 0.0 112.453 -172.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.744 HG13 ' HB ' ' B' ' 32' ' ' ILE . 3.6 mp -129.24 133.61 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.388 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -98.0 98.61 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.236 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.13 -81.55 1.42 Allowed Glycine 0 N--CA 1.424 -2.108 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -149.8 21.98 0.89 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.446 -0.377 . . . . 0.0 110.13 173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -119.6 118.14 30.19 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.744 ' HB ' HG13 ' B' ' 27' ' ' ILE . 13.9 tt -104.4 155.98 5.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.35 171.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.639 ' OD1' ' HD3' ' B' ' 35' ' ' ARG . 9.1 t70 -109.84 149.95 29.1 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -60.12 -23.33 63.77 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.755 0.822 . . . . 0.0 111.917 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.639 ' HD3' ' OD1' ' B' ' 33' ' ' ASP . 2.4 mpt_? -63.93 -40.01 95.47 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-O 121.518 0.675 . . . . 0.0 110.369 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.571 ' HB3' ' HB ' ' B' ' 25' ' ' VAL . 41.9 mm-40 -59.06 -52.59 65.08 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.474 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.9 mt -76.34 -52.75 9.3 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.428 0.632 . . . . 0.0 111.122 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.02 30.25 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.305 1.05 . . . . 0.0 111.587 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.565 HG23 HG23 ' B' ' 40' ' ' VAL . 6.5 t -64.15 -35.5 80.97 Favored 'General case' 0 C--N 1.342 0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 110.844 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.565 HG23 HG23 ' B' ' 39' ' ' THR . 63.9 t -115.47 -60.3 2.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 121.81 -0.556 . . . . 0.0 111.135 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.69 176.23 7.89 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.16 0.584 . . . . 0.0 110.072 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -119.42 2.21 11.26 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 173.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -151.81 139.87 20.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.928 -1.033 . . . . 0.0 108.756 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.5 mm -126.43 146.36 32.39 Favored 'Isoleucine or valine' 0 C--N 1.339 0.141 0 O-C-N 123.882 0.739 . . . . 0.0 109.038 -175.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.24 142.26 16.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 56.6 mt -132.71 111.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 123.727 0.642 . . . . 0.0 109.512 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.47 142.11 27.71 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 123.764 0.665 . . . . 0.0 110.627 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -149.04 97.92 2.76 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.809 0.693 . . . . 0.0 109.37 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.43 -73.56 1.44 Allowed Glycine 0 CA--C 1.501 -0.838 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.9 -18.19 0.08 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.717 0.77 . . . . 0.0 109.957 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -80.55 157.93 25.93 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -132.39 131.28 41.68 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 120.958 0.408 . . . . 0.0 109.94 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.446 ' HD2' HD11 ' B' ' 65' ' ' LEU . 52.0 m-85 -114.11 170.54 8.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.167 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.591 HH21 ' HB2' ' B' ' 15' ' ' ALA . 82.8 mtt180 -136.02 111.21 8.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.69 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.443 HD11 HD12 ' B' ' 63' ' ' LEU . 43.6 tp -83.81 110.16 18.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -110.11 137.56 47.7 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 123.356 0.41 . . . . 0.0 111.376 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.8 tp -106.4 138.07 43.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.661 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 21.2 p -88.77 -179.11 5.93 Favored 'General case' 0 C--O 1.245 0.826 0 O-C-N 121.959 -0.463 . . . . 0.0 109.764 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -63.5 76.5 0.03 OUTLIER 'General case' 0 C--O 1.24 0.575 0 C-N-CA 122.633 0.373 . . . . 0.0 111.02 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 63.38 -5.26 0.25 Allowed 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.689 0.796 . . . . 0.0 112.712 176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -71.49 -70.83 0.3 Allowed 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.684 -0.635 . . . . 0.0 110.762 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -151.28 -169.88 3.5 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 122.72 0.408 . . . . 0.0 110.461 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.443 HD12 HD11 ' B' ' 55' ' ' LEU . 1.3 pt? -137.23 160.29 39.46 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.711 0.632 . . . . 0.0 109.377 174.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -150.37 170.57 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.474 0.654 . . . . 0.0 110.413 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.608 HD13 ' N ' ' B' ' 66' ' ' THR . 3.4 tm? -104.02 146.57 28.51 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.608 ' N ' HD13 ' B' ' 65' ' ' LEU . 12.6 t -163.81 170.21 17.21 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--O 1.252 1.223 0 C-N-CA 122.837 0.455 . . . . 0.0 110.3 168.413 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 120.766 0.317 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -151.25 163.14 39.57 Favored 'General case' 0 C--O 1.249 1.028 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.38 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.1 m -71.37 80.59 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.454 0.645 . . . . 0.0 109.939 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -171.94 99.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.72 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -72.88 75.16 1.16 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.563 0.697 . . . . 0.0 110.857 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -86.12 133.72 33.86 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.221 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -141.81 92.03 2.41 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.396 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.39 158.3 36.03 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.848 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 80.29 0.38 Allowed Glycine 0 C--O 1.242 0.635 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.358 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.67 54.91 1.89 Allowed 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 121.179 0.514 . . . . 0.0 110.209 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -80.46 128.58 72.07 Favored Pre-proline 0 N--CA 1.445 -0.7 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.441 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.94 110.05 0.92 Allowed 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.246 1.964 . . . . 0.0 112.131 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.8 m -83.39 116.32 22.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.448 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -73.79 73.36 1.56 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.647 0.737 . . . . 0.0 109.898 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.07 110.51 19.0 Favored 'General case' 0 C--O 1.245 0.861 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.022 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.31 123.85 20.21 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.229 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.3 t -71.21 104.47 3.11 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 123.877 0.736 . . . . 0.0 109.846 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 p -66.95 116.55 36.64 Favored Pre-proline 0 CA--C 1.543 0.698 0 CA-C-N 116.873 -0.148 . . . . 0.0 111.255 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 119.2 5.55 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 122.719 2.279 . . . . 0.0 111.653 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.63 -168.84 41.39 Favored Glycine 0 C--O 1.237 0.282 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.647 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.03 -112.82 4.19 Favored Glycine 0 CA--C 1.518 0.271 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.23 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.33 155.55 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.09 0.471 . . . . 0.0 111.334 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.78 153.18 45.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.359 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.38 128.07 54.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 123.292 0.637 . . . . 0.0 110.778 -175.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG22 HD13 ' B' ' 27' ' ' ILE . 29.0 m -118.08 143.84 27.73 Favored 'Isoleucine or valine' 0 C--O 1.246 0.873 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.692 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 27' ' ' ILE . 29.3 p -99.7 151.47 21.18 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -175.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mp -123.83 124.27 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 114.513 -1.222 . . . . 0.0 108.27 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 31' ' ' GLN . 9.1 m -100.3 99.44 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.586 0.707 . . . . 0.0 109.984 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' B' ' 20' ' ' GLY . . . 80.56 -74.41 2.38 Favored Glycine 0 C--O 1.241 0.562 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -175.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -160.64 21.73 0.14 Allowed 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.542 ' HB3' HG23 ' A' ' 28' ' ' VAL . 31.6 tt0 -107.46 159.23 16.57 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.141 -177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 31' ' ' GLN . 14.3 tt -162.29 151.4 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 178.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -101.21 144.38 30.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.654 0.74 . . . . 0.0 109.666 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 p -58.23 -25.1 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 123.399 0.68 . . . . 0.0 111.526 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.527 ' O ' ' HB ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -68.89 -42.89 76.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.119 -179.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -53.95 -47.73 71.0 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.408 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.43 ' HB3' HG13 ' A' ' 44' ' ' ILE . 86.7 mt -73.03 -53.18 11.79 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.019 0.528 . . . . 0.0 111.703 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.654 ' HB3' ' HD2' ' A' ' 42' ' ' ARG . 65.0 m-85 -102.11 28.25 5.97 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -166.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 35' ' ' ARG . 14.7 t -78.81 -30.52 45.45 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.73 -0.606 . . . . 0.0 111.763 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.2 t -92.63 -77.81 0.3 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.36 0.6 . . . . 0.0 110.718 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -86.32 -177.52 6.24 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 170.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.654 ' HD2' ' HB3' ' A' ' 38' ' ' PHE . 7.4 tpt180 -127.22 14.54 7.24 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.237 0.471 . . . . 0.0 110.186 -178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -146.19 134.0 21.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.228 178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' HB3' ' A' ' 37' ' ' LEU . 46.4 mm -123.11 134.92 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -177.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.6 t -102.58 108.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.656 -176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.9 mt -88.27 107.86 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.006 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.0 138.2 31.66 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -145.5 98.74 3.19 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.213 -177.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.04 -82.82 1.46 Allowed Glycine 0 C--N 1.32 -0.348 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -147.63 -13.5 0.39 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.974 -0.613 . . . . 0.0 109.988 171.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.42 158.7 21.99 Favored 'General case' 0 C--N 1.346 0.416 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -125.53 126.02 44.18 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.752 0.311 . . . . 0.0 110.331 -175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -112.56 162.11 16.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -135.25 109.25 8.19 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.4 tp -86.6 116.38 24.68 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -120.79 139.15 53.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 63' ' ' LEU . 48.4 tp -111.24 146.79 36.35 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.972 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.2 p -82.53 -177.75 6.81 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.961 0.788 . . . . 0.0 109.204 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.4 t -50.14 -58.04 6.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -155.8 1.61 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.693 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -72.67 -75.92 0.13 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.776 0.262 . . . . 0.0 111.531 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.5 pttt -149.21 -170.47 3.64 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.928 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.6 pt? -135.88 162.22 33.42 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 123.006 0.522 . . . . 0.0 110.116 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.5 169.59 6.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.674 0 O-C-N 123.523 0.514 . . . . 0.0 110.821 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.9 tp -120.28 112.32 18.9 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -122.61 176.42 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.807 0.443 . . . . 0.0 110.75 177.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mptt . . . . . 0 C--O 1.254 1.314 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 176.526 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ttt -91.88 72.87 5.69 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.462 ' O ' HG23 ' B' ' 3' ' ' THR . 8.9 t -93.25 84.6 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.017 0.913 . . . . 0.0 109.844 177.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.85 116.63 1.95 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.4 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -117.95 75.3 0.99 Allowed 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.941 0.877 . . . . 0.0 108.97 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.36 113.25 5.77 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.673 -174.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -87.23 96.27 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.905 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 50.0 mt -106.09 100.16 9.72 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 123.384 0.428 . . . . 0.0 110.332 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 178.83 39.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.78 128.0 53.87 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.616 0.245 . . . . 0.0 110.895 -178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.8 135.35 21.63 Favored Pre-proline 0 CA--C 1.531 0.231 0 O-C-N 123.416 0.447 . . . . 0.0 109.811 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -51.02 -37.84 57.87 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.051 2.5 . . . . 0.0 112.504 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m 59.66 81.51 0.17 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 124.084 0.865 . . . . 0.0 111.015 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -138.99 124.19 19.09 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.426 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.42 75.17 10.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.728 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 108.16 4.11 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.984 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.0 t -152.39 110.87 3.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.531 . . . . 0.0 109.818 -177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' B' ' 19' ' ' PRO . 39.9 t -110.64 104.02 55.29 Favored Pre-proline 0 C--O 1.244 0.777 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' B' ' 18' ' ' SER . 29.0 Cg_endo -61.68 90.15 0.1 Allowed 'Trans proline' 0 C--O 1.246 0.9 0 C-N-CA 122.376 2.051 . . . . 0.0 112.83 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.436 ' O ' ' HA2' ' A' ' 29' ' ' GLY . . . -71.48 -66.14 2.22 Favored Glycine 0 CA--C 1.5 -0.863 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 176.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.43 63.22 4.06 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.611 -0.328 . . . . 0.0 112.798 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.42 125.73 46.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.6 ptt-85 -140.77 154.85 46.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.355 0.409 . . . . 0.0 110.619 -168.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.33 129.01 55.25 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 124.254 0.971 . . . . 0.0 110.655 -175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 HD13 ' A' ' 27' ' ' ILE . 27.6 m -120.05 143.92 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 N-CA-C 109.524 -0.546 . . . . 0.0 109.524 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.443 ' C ' HD12 ' B' ' 27' ' ' ILE . 11.1 p -100.06 151.43 21.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.649 0.738 . . . . 0.0 112.706 -174.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.484 HD11 HD12 ' B' ' 32' ' ' ILE . 1.8 mp -124.24 124.81 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 114.245 -1.343 . . . . 0.0 107.567 175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 28' ' ' VAL . 19.9 m -100.18 98.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.417 0.627 . . . . 0.0 109.776 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.71 -74.19 2.43 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -160.29 20.99 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.534 0.734 . . . . 0.0 109.526 172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 14.1 tt0 -108.73 159.61 16.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.788 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.484 HD12 HD11 ' B' ' 27' ' ' ILE . 14.1 tt -162.11 151.98 3.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.67 145.39 29.15 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.56 -0.713 . . . . 0.0 109.839 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -59.89 -25.02 64.75 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.069 0.547 . . . . 0.0 111.049 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.539 ' O ' ' HB ' ' B' ' 39' ' ' THR . 20.5 mmm-85 -68.32 -43.52 77.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.557 0.694 . . . . 0.0 110.373 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -53.65 -47.42 70.35 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.824 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.92 -52.1 13.99 Favored 'General case' 0 C--O 1.242 0.668 0 CA-C-O 121.379 0.609 . . . . 0.0 112.022 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -101.31 29.38 4.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -167.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.539 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 13.5 t -80.18 -29.34 38.69 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.592 -0.693 . . . . 0.0 111.453 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -93.62 -78.85 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 109.126 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -85.17 -177.04 6.42 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 170.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -127.94 13.82 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.224 0.535 . . . . 0.0 110.238 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -144.94 135.89 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.838 177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mm -123.9 134.15 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.87 108.56 23.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-O 120.851 0.358 . . . . 0.0 110.125 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.2 mt -88.64 109.21 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.033 177.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.01 137.67 32.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 176.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -145.09 97.91 3.08 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 123.555 0.535 . . . . 0.0 111.11 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.25 -81.58 1.49 Allowed Glycine 0 C--N 1.314 -0.662 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -148.55 -13.3 0.34 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.518 0.675 . . . . 0.0 109.912 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.11 158.63 22.33 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.544 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -125.9 125.75 43.29 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.411 ' HB3' HD11 ' B' ' 65' ' ' LEU . 73.7 m-85 -111.66 162.37 15.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.008 0.523 . . . . 0.0 110.079 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -135.98 110.05 8.28 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-O 122.067 0.937 . . . . 0.0 110.114 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 tp -85.97 115.58 23.67 Favored 'General case' 0 C--O 1.243 0.751 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -119.15 139.25 52.13 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.93 0.395 . . . . 0.0 110.827 -172.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 58' ' ' THR . 50.6 tp -111.44 146.9 36.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.82 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 69.8 p -80.89 -177.84 6.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.06 172.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 16.7 t -50.97 -57.46 8.51 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 6.7 tp60 -156.2 1.19 0.14 Allowed 'General case' 0 CA--C 1.554 1.112 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.989 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -70.87 -78.23 0.08 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.806 0.336 . . . . 0.0 111.705 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -148.88 -170.97 3.76 Favored 'General case' 0 C--O 1.243 0.748 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.956 -176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.458 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -134.41 162.76 31.32 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 122.714 0.405 . . . . 0.0 110.228 178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.04 169.79 5.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 123.61 0.569 . . . . 0.0 110.226 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 53' ' ' TYR . 55.6 tp -121.07 112.62 18.94 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -122.73 178.27 5.09 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.365 177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt . . . . . 0 C--O 1.243 0.749 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 174.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.8 mtp -94.3 92.66 7.31 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.32 -177.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -104.28 167.27 9.86 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 122.462 0.305 . . . . 0.0 110.496 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.21 110.33 4.53 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -77.15 -10.48 59.42 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 120.823 0.344 . . . . 0.0 110.672 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -52.11 115.58 1.78 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 8' ' ' LEU . 35.4 ptt180 -85.8 26.85 0.92 Allowed 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.19 -178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 6.9 mp 67.0 20.91 10.39 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 91.88 0.36 Allowed Glycine 0 C--O 1.223 -0.546 0 CA-C-N 115.798 -0.637 . . . . 0.0 113.539 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.12 147.45 28.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -114.06 93.53 30.53 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.51 -173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -97.04 1.84 1.71 Allowed 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.417 2.745 . . . . 0.0 113.423 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 13' ' ' THR . 8.6 t -72.26 106.68 4.53 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.47 0.652 . . . . 0.0 111.493 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -158.7 113.44 2.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.79 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.86 110.69 15.75 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 107.35 0.29 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.238 0.962 . . . . 0.0 110.807 -178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.3 m -63.94 102.8 0.51 Allowed 'General case' 0 CA--C 1.539 0.522 0 O-C-N 124.131 0.894 . . . . 0.0 110.263 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 p -69.02 122.92 86.91 Favored Pre-proline 0 C--O 1.236 0.347 0 O-C-N 123.582 0.551 . . . . 0.0 110.987 178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.91 -163.81 0.23 Allowed 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.94 2.427 . . . . 0.0 112.699 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.49 -149.46 19.39 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.52 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.51 176.2 45.86 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.85 122.3 41.92 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 121.44 -1.035 . . . . 0.0 109.485 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.552 HH21 HD11 ' A' ' 44' ' ' ILE . 25.6 ptt-85 -124.27 139.52 53.84 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.65 127.99 51.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.089 0.471 . . . . 0.0 109.847 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 HG23 ' B' ' 25' ' ' VAL . 35.7 m -123.11 142.98 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-O 121.698 0.761 . . . . 0.0 110.316 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.7 m -102.95 157.45 16.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.888 0.851 . . . . 0.0 111.463 -176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -121.89 126.92 75.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.068 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.6 m -106.88 100.26 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.54 -68.32 2.74 Favored Glycine 0 CA--C 1.501 -0.814 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.97 22.34 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 114.759 -0.72 . . . . 0.0 109.808 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HB3' HG23 ' A' ' 28' ' ' VAL . 64.1 tt0 -109.02 149.93 28.53 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.586 0.754 . . . . 0.0 110.059 -175.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 tt -159.52 150.6 6.5 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 O-C-N 124.26 0.975 . . . . 0.0 109.187 -177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 8.3 t70 -101.48 140.75 35.34 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.155 0.502 . . . . 0.0 110.111 178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.3 p -67.01 -27.84 67.76 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.199 -177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -70.85 -29.71 65.91 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.018 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 17.2 mm-40 -60.33 -45.87 91.9 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -69.8 -44.41 70.11 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.662 -178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 57' ' ' LEU . 85.5 m-85 -105.48 30.5 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.635 -174.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 HG23 HG22 ' A' ' 40' ' ' VAL . 9.3 t -57.86 -37.4 73.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.276 0.56 . . . . 0.0 110.866 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 39' ' ' THR . 10.7 m -147.54 69.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.192 0 CA-C-O 121.876 0.846 . . . . 0.0 109.105 175.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 t0 176.55 161.25 0.37 Allowed 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -120.81 -16.1 8.23 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 121.998 -0.439 . . . . 0.0 111.23 -177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -150.81 140.13 21.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.186 0.993 . . . . 0.0 110.631 -174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.552 HD11 HH21 ' A' ' 23' ' ' ARG . 44.6 mm -123.4 140.41 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.052 -178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.3 t -104.52 107.63 22.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 46.7 mt -91.07 108.13 19.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 O-C-N 124.074 0.859 . . . . 0.0 110.889 176.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' HH11 ' A' ' 52' ' ' ARG . . . -87.22 141.25 28.79 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 121.648 -0.657 . . . . 0.0 110.088 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.95 103.72 3.51 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.047 0.842 . . . . 0.0 110.254 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.87 -68.77 2.98 Favored Glycine 0 C--N 1.335 0.523 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 51' ' ' ASP . 27.0 t70 -160.15 -18.71 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.304 0.574 . . . . 0.0 110.069 175.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' H ' ' H ' ' A' ' 50' ' ' ASP . 28.6 t70 -85.1 161.26 19.75 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.556 -178.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 HH11 ' HB2' ' A' ' 47' ' ' ALA . 29.6 mmt180 -121.41 120.87 36.23 Favored 'General case' 0 C--O 1.245 0.819 0 C-N-CA 122.884 0.473 . . . . 0.0 109.973 -175.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD11 ' A' ' 65' ' ' LEU . 40.2 m-85 -104.83 156.81 17.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.4 mtt-85 -128.2 109.31 11.37 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 HD12 ' A' ' 63' ' ' LEU . 52.3 tp -91.02 111.44 22.91 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 173.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB3' HD11 ' A' ' 64' ' ' ILE . 37.0 ttt85 -121.36 141.52 50.87 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.085 0.469 . . . . 0.0 110.572 -171.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD12 ' CD2' ' A' ' 38' ' ' PHE . 1.7 tt -109.73 133.59 52.96 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.41 ' N ' HD23 ' A' ' 57' ' ' LEU . 80.8 p -77.92 -177.81 5.16 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 m -68.54 79.3 0.27 Allowed 'General case' 0 C--O 1.242 0.693 0 CA-C-O 121.389 0.614 . . . . 0.0 109.897 176.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 71.51 -26.01 0.17 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.618 0.767 . . . . 0.0 112.894 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' OD1' ' HG3' ' A' ' 62' ' ' LYS . 16.6 t-20 -56.62 -68.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 122.135 -0.353 . . . . 0.0 111.551 -173.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HG3' ' OD1' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -158.26 -165.74 1.77 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.615 178.599 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -134.29 161.6 34.5 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 123.515 0.509 . . . . 0.0 109.714 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.7 pp -145.74 167.56 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 122.855 0.462 . . . . 0.0 110.607 -175.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.488 HD11 ' HB3' ' A' ' 53' ' ' TYR . 61.8 tp -123.57 113.43 18.69 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 123.716 0.635 . . . . 0.0 109.798 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -140.1 175.95 9.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.882 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.39 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.915 0.388 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -146.56 102.86 3.62 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 3' ' ' THR . 7.5 t -150.03 93.45 2.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.172 0.987 . . . . 0.0 109.315 176.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.7 12.91 35.36 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.54 -176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.5 p -101.52 110.63 22.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.118 0.485 . . . . 0.0 110.366 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -82.17 101.22 10.31 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.459 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -164.09 149.06 10.3 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.646 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -172.32 103.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 177.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.94 -160.46 28.26 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.174 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.06 139.15 0.8 Allowed 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 123.49 0.716 . . . . 0.0 110.017 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -130.23 86.35 54.23 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-O 120.856 0.36 . . . . 0.0 110.799 -174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -97.84 4.18 1.4 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 122.892 2.395 . . . . 0.0 111.618 167.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 25.9 m -60.58 134.22 56.86 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.566 -172.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.18 177.25 8.51 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.974 174.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.47 105.01 8.33 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.805 0.336 . . . . 0.0 110.307 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.99 -12.65 38.06 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.428 0.632 . . . . 0.0 110.799 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 10.4 t -127.87 106.88 9.41 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -143.99 88.42 7.59 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -87.59 -170.2 0.55 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.182 1.921 . . . . 0.0 112.433 177.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -44.39 95.02 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 121.247 -0.502 . . . . 0.0 112.259 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.2 164.85 14.14 Favored Glycine 0 C--O 1.239 0.441 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.14 120.8 41.36 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.551 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 5.9 ptp180 -123.44 139.74 53.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.806 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.48 127.74 49.4 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.225 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.437 HG11 HD23 ' B' ' 37' ' ' LEU . 21.9 m -122.79 142.73 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-O 121.163 0.506 . . . . 0.0 109.733 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' ILE . 9.2 p -102.4 156.63 17.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.428 HD12 ' C ' ' B' ' 26' ' ' SER . 1.8 mp -121.18 128.14 75.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' B' ' 31' ' ' GLN . 8.1 m -107.32 100.33 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.55 -69.75 2.29 Favored Glycine 0 CA--C 1.501 -0.839 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -164.1 20.64 0.07 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 172.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 28' ' ' VAL . 1.0 OUTLIER -108.68 150.08 28.06 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 122.568 0.347 . . . . 0.0 110.284 -174.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 12.5 tt -158.93 150.84 7.0 Favored 'Isoleucine or valine' 0 C--O 1.243 0.714 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 7.5 t70 -101.36 140.74 35.24 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-O 120.684 0.278 . . . . 0.0 110.559 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.5 t -67.05 -27.7 67.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 122.88 0.472 . . . . 0.0 111.102 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -72.67 -27.29 62.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 43.3 mm-40 -62.14 -46.2 90.04 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-O 120.854 0.359 . . . . 0.0 110.105 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.437 HD23 HG11 ' B' ' 25' ' ' VAL . 84.2 mt -69.34 -44.38 71.74 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-O 120.964 0.412 . . . . 0.0 110.915 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' B' ' 57' ' ' LEU . 82.3 m-85 -104.73 30.4 5.48 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.956 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.499 HG23 HG12 ' B' ' 40' ' ' VAL . 9.9 t -57.42 -37.71 73.19 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.965 0.412 . . . . 0.0 110.324 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.499 HG12 HG23 ' B' ' 39' ' ' THR . 7.2 p -148.2 68.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 122.324 1.059 . . . . 0.0 109.542 176.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.58 161.78 0.39 Allowed 'General case' 0 C--N 1.346 0.419 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -120.86 -16.93 8.04 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.161 -0.337 . . . . 0.0 111.559 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' B' ' 56' ' ' ARG . 32.7 tt0 -150.73 139.41 20.69 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-O 121.371 0.605 . . . . 0.0 110.886 -174.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 37.5 mm -123.26 140.23 47.54 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.081 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.52 107.41 22.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.255 0 CA-C-O 121.303 0.573 . . . . 0.0 110.629 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.73 107.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.819 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.33 142.15 28.7 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.174 0.512 . . . . 0.0 110.844 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -148.66 103.09 3.36 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.47 -68.9 3.05 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.91 -17.38 0.06 Allowed 'General case' 0 C--O 1.239 0.513 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -84.71 161.55 20.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.286 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -122.09 121.89 37.99 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.499 ' HB3' HD11 ' B' ' 65' ' ' LEU . 49.9 m-85 -105.41 155.99 18.61 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.513 ' HD3' ' HA ' ' B' ' 67' ' ' LYS . 73.6 mtp180 -127.5 109.49 11.78 Favored 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.767 0.667 . . . . 0.0 110.144 -177.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.485 HD11 HD12 ' B' ' 63' ' ' LEU . 47.8 tp -89.49 110.33 21.18 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 172.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 56' ' ' ARG . 36.3 ttp180 -119.86 142.2 48.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.322 0.582 . . . . 0.0 110.829 -172.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.4 tt -110.28 134.3 52.39 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.265 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' B' ' 57' ' ' LEU . 74.8 p -79.18 -178.2 6.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.684 178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.5 m -66.01 77.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.925 0.393 . . . . 0.0 110.713 175.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 72.15 -26.26 0.18 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.196 0.999 . . . . 0.0 112.384 174.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -55.77 -69.63 0.14 Allowed 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.511 0.196 . . . . 0.0 111.269 -173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.454 ' O ' HD23 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -157.16 -167.01 2.2 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 120.903 0.382 . . . . 0.0 110.64 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.485 HD12 HD11 ' B' ' 55' ' ' LEU . 1.8 pt? -132.99 161.42 34.37 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.821 -0.436 . . . . 0.0 109.821 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.78 168.23 9.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 120.924 0.392 . . . . 0.0 110.416 -176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' B' ' 53' ' ' TYR . 68.4 tp -123.8 114.25 19.64 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 t -141.95 179.26 6.98 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.513 ' HA ' ' HD3' ' B' ' 54' ' ' ARG . 44.4 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.564 175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 C--O 1.256 1.443 0 CA-C-O 121.815 0.817 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.5 ' HG3' HG23 ' A' ' 3' ' ' THR . 26.4 ptt? -86.94 -41.14 14.18 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.752 -0.593 . . . . 0.0 110.02 -177.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 2' ' ' MET . 36.6 p -110.0 83.66 1.79 Allowed 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 8' ' ' LEU . . . -95.46 -16.12 22.46 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.96 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 m -55.92 115.07 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.982 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 27.8 t70 75.73 -37.06 0.31 Allowed 'General case' 0 C--O 1.249 1.039 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.913 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 7' ' ' ARG . 3.2 tpm_? -65.61 -57.46 8.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 4' ' ' ALA . 6.9 mp -94.16 109.5 21.28 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 172.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.3 -34.75 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.262 -0.971 . . . . 0.0 112.538 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.25 106.97 1.19 Allowed 'General case' 0 C--O 1.244 0.806 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -127.66 142.19 43.39 Favored Pre-proline 0 C--O 1.239 0.549 0 C-N-CA 122.23 0.212 . . . . 0.0 111.499 -177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.44 24.41 0.73 Allowed 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 124.153 3.235 . . . . 0.0 111.822 175.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.5 p -83.35 26.75 0.63 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.628 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -75.25 81.69 2.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.57 0.7 . . . . 0.0 110.3 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.9 -39.7 1.76 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.6 35.13 0.4 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.296 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.7 m -62.1 120.0 10.03 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 123.229 0.612 . . . . 0.0 111.148 -175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.455 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 19.3 p -159.4 101.53 1.53 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.776 177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 18' ' ' SER . 20.4 Cg_endo -60.67 -40.5 54.84 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.825 2.35 . . . . 0.0 111.524 175.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.09 118.84 4.53 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 114.167 0.427 . . . . 0.0 114.167 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.67 158.25 28.37 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 109.281 -1.528 . . . . 0.0 109.281 172.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -111.95 125.82 54.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 119.556 1.678 . . . . 0.0 108.954 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -146.59 157.09 43.66 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.489 0.662 . . . . 0.0 111.114 -172.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.27 114.16 27.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.071 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' B' ' 25' ' ' VAL . 26.8 m -103.76 132.97 48.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 O-C-N 124.174 0.921 . . . . 0.0 109.036 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.1 p -94.95 146.05 24.5 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -169.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 36.0 mm -114.34 123.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 114.483 -1.235 . . . . 0.0 108.637 176.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 28' ' ' VAL . 25.8 m -104.55 98.38 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 121.566 0.698 . . . . 0.0 109.922 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.88 -69.49 3.3 Favored Glycine 0 CA--C 1.506 -0.478 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -163.35 19.98 0.08 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 172.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.96 146.69 39.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.063 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.5 tt -135.75 150.96 28.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 35' ' ' ARG . 19.2 t70 -105.92 134.52 48.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.499 -175.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -55.39 -25.03 33.09 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -71.23 -35.99 71.68 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.185 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.432 ' HB3' ' HB ' ' A' ' 25' ' ' VAL . 16.3 mm-40 -51.86 -50.64 60.54 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.25 176.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -79.59 -52.71 7.65 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.404 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -98.96 31.08 3.12 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.352 0.408 . . . . 0.0 111.995 -170.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 40' ' ' VAL . 4.7 t -55.07 -47.32 75.03 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.094 0.473 . . . . 0.0 110.949 175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 39' ' ' THR . 7.6 p -149.41 67.13 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-O 121.351 0.596 . . . . 0.0 110.488 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 179.67 161.53 0.87 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -118.47 -12.92 9.77 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.281 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -147.33 137.68 23.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.16 -0.337 . . . . 0.0 111.015 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -121.15 139.15 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.388 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.6 t -100.5 143.28 14.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 61.4 mt -132.32 107.06 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.46 135.13 33.59 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 110.449 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' CE1' HD11 ' B' ' 57' ' ' LEU . 78.6 t60 -148.87 101.65 3.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.954 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.16 -88.25 1.58 Allowed Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.028 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.06 -18.34 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.832 0.372 . . . . 0.0 110.525 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -97.62 170.92 8.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.807 -173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -130.83 129.57 42.51 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HD2' HD11 ' A' ' 65' ' ' LEU . 9.0 m-85 -105.08 160.55 14.97 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.434 -0.803 . . . . 0.0 108.874 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -133.85 109.61 9.19 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-O 121.049 0.452 . . . . 0.0 111.003 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 64' ' ' ILE . 36.9 tp -86.92 108.51 18.83 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.1 ttm180 -112.03 137.39 50.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.357 -172.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.462 HD11 ' CE1' ' B' ' 48' ' ' HIS . 32.4 tp -106.25 142.22 36.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.119 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.507 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 25.2 p -94.26 150.74 20.02 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 171.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 m -47.59 94.6 0.01 OUTLIER 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.099 0.874 . . . . 0.0 112.154 -175.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 67.8 -17.18 0.16 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.978 1.311 . . . . 0.0 112.195 176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' OG1' ' A' ' 58' ' ' THR . 14.5 t-20 -72.05 -79.15 0.08 Allowed 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.501 -0.749 . . . . 0.0 111.956 -170.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 57' ' ' LEU . 23.1 pttp -153.75 -173.37 4.55 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -177.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -136.03 160.86 37.34 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.69 169.41 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.205 0.941 . . . . 0.0 110.476 -175.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -122.4 114.79 21.22 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -139.87 179.05 6.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.635 -0.712 . . . . 0.0 109.262 177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.835 -1.079 . . . . 0.0 109.519 173.871 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 23.6 ttt -163.46 110.81 1.18 Allowed 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.481 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -160.77 164.31 31.61 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 123.73 0.644 . . . . 0.0 110.247 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.31 0.63 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.177 0.923 . . . . 0.0 110.509 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.8 p -82.73 148.52 27.82 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.81 0.814 . . . . 0.0 110.525 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -108.38 97.1 6.83 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.743 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -94.26 0.32 55.57 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 122.703 1.24 . . . . 0.0 111.057 173.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.492 HD12 ' N ' ' B' ' 8' ' ' LEU . 4.9 mp -90.72 -6.95 53.77 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 121.425 -0.797 . . . . 0.0 110.744 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.21 7.78 43.16 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 116.427 -0.351 . . . . 0.0 113.202 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.38 109.94 2.91 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 122.125 -0.633 . . . . 0.0 110.61 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -114.28 85.58 10.77 Favored Pre-proline 0 C--O 1.239 0.502 0 CA-C-O 121.421 0.629 . . . . 0.0 110.23 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -88.77 -2.13 6.49 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.273 2.649 . . . . 0.0 112.603 -177.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m 56.15 73.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -120.79 92.68 3.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.999 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.33 105.9 0.39 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.34 81.24 0.37 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 121.45 0.643 . . . . 0.0 110.48 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m -152.1 56.88 0.84 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.199 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 6.8 m -59.99 148.9 76.01 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.247 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.28 74.25 0.78 Allowed 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.171 1.914 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.74 -67.67 3.34 Favored Glycine 0 N--CA 1.44 -1.088 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.03 -158.67 51.73 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 109.886 -1.285 . . . . 0.0 109.886 -175.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -112.7 124.99 53.8 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 118.121 0.96 . . . . 0.0 109.601 174.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.403 ' CZ ' HG21 ' B' ' 39' ' ' THR . 10.7 ptm85 -136.85 154.07 50.61 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.736 -0.602 . . . . 0.0 110.529 -177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.14 112.62 24.93 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.593 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.701 HG23 HG23 ' A' ' 25' ' ' VAL . 29.7 m -102.03 133.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.357 0.599 . . . . 0.0 109.513 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -93.73 145.2 24.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -169.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.457 HD13 HG22 ' A' ' 25' ' ' VAL . 1.4 mp -113.82 123.07 69.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 108.906 175.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.8 m -103.1 98.08 6.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 121.709 0.766 . . . . 0.0 110.471 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.54 -69.42 3.29 Favored Glycine 0 C--O 1.219 -0.814 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -163.77 21.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 171.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -115.07 134.43 55.18 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.587 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.8 tt -119.51 156.37 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.213 0.53 . . . . 0.0 111.655 170.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.492 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 28.8 t70 -105.71 134.64 48.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 31.6 t -55.63 -25.02 36.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -72.01 -35.47 69.44 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.492 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 35.7 mm-40 -49.94 -52.87 30.05 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 123.457 0.473 . . . . 0.0 110.199 175.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.419 ' HB3' HG13 ' B' ' 44' ' ' ILE . 96.1 mt -78.34 -53.39 7.34 Favored 'General case' 0 C--O 1.245 0.838 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -174.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -99.09 31.83 2.9 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 122.757 0.423 . . . . 0.0 111.928 -171.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.506 HG23 HG22 ' B' ' 40' ' ' VAL . 2.6 t -55.46 -48.11 75.04 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.592 175.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.506 HG22 HG23 ' B' ' 39' ' ' THR . 14.6 m -147.69 65.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.646 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t70 179.69 163.42 1.0 Allowed 'General case' 0 C--N 1.347 0.476 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' B' ' 57' ' ' LEU . 23.3 tpp180 -118.6 -13.7 9.65 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.027 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -146.87 137.8 23.95 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-O 120.851 0.358 . . . . 0.0 111.313 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' B' ' 37' ' ' LEU . 48.1 mm -120.44 138.95 49.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.685 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -100.64 142.93 14.81 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 52.4 mt -130.89 106.11 12.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.35 134.59 33.71 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 118.099 0.409 . . . . 0.0 110.335 -177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . 0.462 ' CE1' HD11 ' A' ' 57' ' ' LEU . 74.0 t60 -148.72 101.77 3.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.749 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.15 -88.95 1.57 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.308 -0.948 . . . . 0.0 111.115 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -134.09 -17.42 2.12 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.32 0.581 . . . . 0.0 110.223 176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -97.05 170.78 8.91 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.288 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -130.16 128.46 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.006 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.564 ' HB3' HD11 ' B' ' 65' ' ' LEU . 32.5 m-85 -104.48 159.92 15.35 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 66.7 mtm180 -133.38 109.77 9.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.895 0.378 . . . . 0.0 111.311 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 42.2 tp -86.18 108.89 18.55 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 108.313 173.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.445 ' HB3' HD11 ' B' ' 64' ' ' ILE . 41.6 ttm180 -112.33 138.0 49.67 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.686 -173.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.431 ' O ' ' HD2' ' B' ' 42' ' ' ARG . 28.4 tp -106.34 143.48 34.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.568 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.44 ' OG1' ' HB3' ' B' ' 61' ' ' ASN . 19.8 p -96.68 150.49 20.61 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 172.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 4.7 p -47.27 94.65 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 68.74 -19.26 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.45 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.44 ' HB3' ' OG1' ' B' ' 58' ' ' THR . 53.3 t30 -70.85 -79.57 0.06 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.224 0.535 . . . . 0.0 111.988 -170.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.19 -174.21 4.86 Favored 'General case' 0 C--O 1.215 -0.741 0 O-C-N 121.312 -0.868 . . . . 0.0 110.091 -176.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.503 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.2 pt? -136.29 161.2 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.335 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.7 pp -146.47 168.9 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.524 -175.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' B' ' 53' ' ' TYR . 61.1 tp -121.21 113.71 20.36 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.3 t -136.76 169.79 17.16 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.56 0.344 . . . . 0.0 110.185 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.555 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.8 mppt? . . . . . 0 C--O 1.254 1.319 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.21 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.485 1.288 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -89.49 124.07 34.18 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 123.319 0.648 . . . . 0.0 110.726 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 t -144.84 135.37 24.42 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 120.67 0.272 . . . . 0.0 110.677 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.04 116.34 20.94 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -148.05 148.63 30.89 Favored 'General case' 0 C--O 1.246 0.884 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.72 108.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 8' ' ' LEU . 40.7 ttp180 -90.7 110.81 21.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 -175.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.488 HD13 ' HG2' ' A' ' 7' ' ' ARG . 9.0 mp 62.16 88.85 0.09 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.163 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.63 117.62 0.96 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.335 -1.106 . . . . 0.0 110.335 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.7 166.15 15.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.522 0.201 . . . . 0.0 111.011 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -114.7 102.18 54.71 Favored Pre-proline 0 N--CA 1.473 0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.327 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -84.71 -178.1 3.15 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 122.294 1.996 . . . . 0.0 112.461 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.2 t -153.68 141.14 19.76 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -86.97 -15.31 39.21 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.05 0.928 . . . . 0.0 110.157 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.36 110.24 1.85 Allowed 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.337 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.77 126.36 27.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.867 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 52.5 m -65.56 86.23 0.08 Allowed 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.177 178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -106.41 95.9 12.64 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.387 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 17' ' ' SER . 40.9 Cg_endo -96.44 14.02 0.99 Allowed 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 123.641 2.894 . . . . 0.0 112.417 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.4 -172.46 50.3 Favored Glycine 0 C--O 1.225 -0.465 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.133 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.27 -175.05 29.79 Favored Glycine 0 C--O 1.241 0.556 0 N-CA-C 110.543 -1.023 . . . . 0.0 110.543 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -103.6 121.65 43.35 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 118.547 1.173 . . . . 0.0 108.853 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 3.9 ptp180 -131.35 145.19 51.74 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.386 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.22 106.56 17.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.262 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -101.28 145.25 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.872 0.733 . . . . 0.0 110.149 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.2 p -107.61 157.52 17.99 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.27 0.471 . . . . 0.0 112.27 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 2.4 mp -120.94 121.34 64.86 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 31' ' ' GLN . 6.9 m -99.37 100.19 9.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-O 121.486 0.66 . . . . 0.0 109.881 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.47 -69.51 1.41 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -163.64 40.68 0.09 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HB3' HG23 ' A' ' 28' ' ' VAL . 56.7 tt0 -147.39 152.23 37.81 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -169.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 tt -161.85 152.17 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -102.67 140.31 37.12 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.857 0.837 . . . . 0.0 109.488 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -58.7 -28.26 65.64 Favored 'General case' 0 N--CA 1.428 -1.559 0 C-N-CA 123.256 0.623 . . . . 0.0 111.73 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -61.64 -40.0 93.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.15 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -54.8 -41.39 70.54 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.36 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.8 mt -74.7 -51.85 13.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.384 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 74.7 m-85 -94.15 17.77 11.99 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.492 -173.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 40' ' ' VAL . 10.2 t -58.21 -25.02 61.12 Favored 'General case' 0 C--O 1.238 0.496 0 O-C-N 122.081 -0.387 . . . . 0.0 111.098 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.564 HG23 HG23 ' A' ' 39' ' ' THR . 59.6 t -120.14 -60.99 2.38 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-O 121.067 0.46 . . . . 0.0 110.586 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -96.47 120.51 36.91 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.838 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.83 1.79 1.24 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.587 0.755 . . . . 0.0 111.933 178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.09 137.29 23.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mm -126.56 141.99 44.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.8 t -99.15 113.23 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.403 -0.186 . . . . 0.0 111.009 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG21 HD11 ' B' ' 63' ' ' LEU . 56.9 mt -99.55 107.09 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 124.068 0.855 . . . . 0.0 112.705 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.64 135.77 34.03 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -150.79 101.65 2.93 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.249 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.68 32.64 11.03 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.1 t70 64.66 7.06 3.54 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.825 -0.687 . . . . 0.0 110.494 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -96.22 169.02 10.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 173.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -124.52 123.76 40.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 56.1 m-85 -108.26 168.5 9.26 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.686 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.409 ' NH2' HH21 ' A' ' 56' ' ' ARG . 68.0 mtp180 -135.24 109.93 8.62 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.678 178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 64' ' ' ILE . 29.4 tp -86.11 112.12 20.99 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 HH21 ' NH2' ' A' ' 54' ' ' ARG . 41.3 ttm180 -116.41 141.38 48.25 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 121.663 -0.648 . . . . 0.0 110.861 -171.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 58' ' ' THR . 1.8 tt -101.32 134.11 44.88 Favored 'General case' 0 N--CA 1.443 -0.802 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.44 ' N ' HD23 ' A' ' 57' ' ' LEU . 68.5 p -68.4 -177.87 0.99 Allowed 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 123.342 0.657 . . . . 0.0 110.486 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.8 t -52.36 -47.41 66.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.113 0.482 . . . . 0.0 110.688 177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.509 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . 4.8 tp60 -174.42 21.61 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.046 176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.49 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.546 0.689 . . . . 0.0 111.527 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.97 -162.81 0.96 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.269 -174.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -126.48 159.31 33.74 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.7 pp -148.83 170.44 2.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 123.481 0.488 . . . . 0.0 110.288 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 53' ' ' TYR . 55.2 tp -123.29 114.0 19.63 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -136.29 173.98 11.11 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.882 -0.58 . . . . 0.0 109.854 175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttm . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 121.161 0.505 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 50.1 ttm -93.24 149.57 21.13 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.238 -175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m 69.51 22.71 6.26 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.513 0.673 . . . . 0.0 110.424 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.13 16.76 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.627 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -68.37 -4.23 13.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.355 0.662 . . . . 0.0 112.257 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -77.48 -25.09 50.14 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.285 -175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -61.15 140.57 57.87 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.013 0.82 . . . . 0.0 111.284 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.49 ' O ' HD12 ' B' ' 8' ' ' LEU . 2.8 pp -142.74 150.06 39.58 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.388 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.85 16.92 55.57 Favored Glycine 0 C--O 1.246 0.856 0 C-N-CA 121.205 -0.521 . . . . 0.0 111.897 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.82 97.46 3.29 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 121.257 0.551 . . . . 0.0 110.717 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -144.57 126.17 7.96 Favored Pre-proline 0 CA--C 1.511 -0.542 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.25 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -55.82 -59.38 0.74 Allowed 'Trans proline' 0 C--O 1.242 0.719 0 C-N-CA 122.782 2.321 . . . . 0.0 112.566 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 70.93 -46.21 0.63 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.503 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -64.63 89.83 0.07 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 122.19 0.196 . . . . 0.0 110.815 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.02 101.1 12.83 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.02 87.39 7.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.933 0.397 . . . . 0.0 110.836 -176.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -79.03 94.23 5.26 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 173.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 49.2 m -111.93 119.67 43.84 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 120.973 0.416 . . . . 0.0 111.955 -170.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -77.95 -171.23 1.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 121.805 1.67 . . . . 0.0 110.55 167.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.23 -53.34 46.49 Favored Glycine 0 C--N 1.314 -0.669 0 C-N-CA 121.331 -0.461 . . . . 0.0 113.587 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 146.36 -166.97 28.06 Favored Glycine 0 N--CA 1.439 -1.163 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -105.58 124.02 48.86 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 117.807 0.803 . . . . 0.0 109.621 -178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.575 HH21 HD11 ' B' ' 44' ' ' ILE . 27.8 ptt-85 -132.53 145.32 51.05 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.181 0.592 . . . . 0.0 110.756 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.42 106.63 17.23 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.461 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 24.9 m -101.55 145.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.23 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.5 p -107.07 157.3 17.94 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 121.757 0.789 . . . . 0.0 112.587 -174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 2.7 mp -120.02 121.92 67.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.1 m -99.9 100.55 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.66 -0.246 . . . . 0.0 110.58 -175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.97 -69.07 1.6 Allowed Glycine 0 N--CA 1.448 -0.565 0 O-C-N 123.601 0.563 . . . . 0.0 112.116 -175.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -165.24 41.02 0.07 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.657 0.742 . . . . 0.0 109.085 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' B' ' 28' ' ' VAL . 23.8 tm0? -148.28 152.77 37.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 -169.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.1 tt -163.23 150.62 3.38 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -101.89 140.95 35.49 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 121.955 0.883 . . . . 0.0 109.485 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t -58.21 -27.95 64.38 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.601 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -63.61 -39.76 95.18 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -53.17 -43.05 66.77 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.553 0.692 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 93.6 mt -73.45 -52.56 13.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.192 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -93.33 17.19 11.68 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 123.407 0.442 . . . . 0.0 112.148 -173.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.584 HG23 HG23 ' B' ' 40' ' ' VAL . 11.1 t -57.58 -24.51 56.69 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.584 HG23 HG23 ' B' ' 39' ' ' THR . 35.5 t -121.11 -61.59 2.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 O-C-N 123.688 0.618 . . . . 0.0 110.258 175.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -96.23 119.93 35.6 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.156 0.503 . . . . 0.0 110.303 -174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -65.86 1.19 1.45 Allowed 'General case' 0 C--O 1.248 0.984 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.973 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -146.19 136.97 24.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.753 -0.592 . . . . 0.0 109.528 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.575 HD11 HH21 ' B' ' 23' ' ' ARG . 44.3 mm -125.52 142.24 42.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 88.0 t -98.21 122.7 50.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 63' ' ' LEU . 46.3 mt -111.72 103.69 15.86 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 -175.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.65 135.05 34.74 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.588 0.232 . . . . 0.0 110.452 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -149.87 102.92 3.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.53 32.64 12.96 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 65.92 6.61 4.12 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.468 -0.866 . . . . 0.0 110.382 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -96.82 169.92 9.52 Favored 'General case' 0 C--O 1.22 -0.456 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 174.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -126.11 123.73 38.99 Favored 'General case' 0 C--O 1.244 0.788 0 O-C-N 121.821 -0.549 . . . . 0.0 111.872 -174.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -107.59 166.97 10.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.147 172.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.24 110.47 10.14 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 26.9 tp -85.01 113.51 21.49 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -117.8 141.59 48.24 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 123.34 0.4 . . . . 0.0 110.915 -171.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.492 HD23 ' N ' ' B' ' 58' ' ' THR . 2.3 tt -101.44 134.38 44.62 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.492 ' N ' HD23 ' B' ' 57' ' ' LEU . 76.5 p -68.48 -178.05 1.04 Allowed 'General case' 0 C--O 1.246 0.877 0 C-N-CA 122.925 0.49 . . . . 0.0 110.791 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 33.3 m -52.95 -47.01 68.43 Favored 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -174.46 21.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.237 0.541 . . . . 0.0 112.07 176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -90.25 -66.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.665 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -159.06 -162.7 1.11 Allowed 'General case' 0 C--O 1.242 0.688 0 C-N-CA 123.252 0.621 . . . . 0.0 109.895 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.494 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.4 pt? -126.21 159.84 31.89 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -149.44 170.93 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.423 1.077 . . . . 0.0 110.573 -177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -123.0 112.74 18.16 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.5 t -135.62 175.9 9.17 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 91.3 mttt . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.304 172.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 120.915 0.388 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.3 mtp -115.03 119.91 38.07 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.051 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -144.18 -176.65 5.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.754 -177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.46 96.34 0.01 OUTLIER 'General case' 0 C--O 1.243 0.763 0 O-C-N 123.632 0.582 . . . . 0.0 109.973 173.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 p -96.01 -170.16 2.07 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.334 -177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -70.73 81.28 0.61 Allowed 'General case' 0 C--O 1.236 0.365 0 C-N-CA 122.086 0.154 . . . . 0.0 110.859 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -127.9 89.84 3.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.717 0.807 . . . . 0.0 109.553 172.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.8 tp -158.25 166.42 32.4 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 123.415 0.686 . . . . 0.0 110.069 -174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.54 77.04 0.09 OUTLIER Glycine 0 C--O 1.244 0.777 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.35 -82.49 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.398 0.679 . . . . 0.0 111.377 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -143.83 141.14 18.11 Favored Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.76 -23.6 10.85 Favored 'Trans proline' 0 C--N 1.361 1.222 0 C-N-CA 121.874 1.716 . . . . 0.0 110.785 168.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 t -177.9 179.32 0.88 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-N 113.463 -1.698 . . . . 0.0 107.882 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -76.18 102.2 5.69 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.47 -39.65 61.38 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.345 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.45 83.33 1.09 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 110.572 177.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.502 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.2 p -79.47 -9.73 59.67 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.14 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.3 t -82.36 107.64 9.48 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 123.148 0.579 . . . . 0.0 109.591 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 17' ' ' SER . 41.2 Cg_endo -96.2 162.8 1.28 Allowed 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.64 2.226 . . . . 0.0 112.833 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.38 58.35 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 170.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.89 43.64 48.76 Favored Glycine 0 C--N 1.339 0.729 0 CA-C-N 114.918 -0.641 . . . . 0.0 113.014 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -104.09 128.11 51.7 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -132.06 148.12 52.48 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.832 -0.543 . . . . 0.0 111.452 -176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.3 113.81 26.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.46 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' B' ' 25' ' ' VAL . 29.1 m -108.07 133.41 53.04 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.406 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 p -93.25 151.94 19.5 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.289 0.566 . . . . 0.0 112.261 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.1 mm -120.09 126.3 75.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.303 177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.2 m -108.98 104.36 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-O 121.18 0.514 . . . . 0.0 110.155 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.06 -67.9 3.53 Favored Glycine 0 CA--C 1.505 -0.556 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -170.24 19.92 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 169.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.84 126.15 48.1 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.189 0.518 . . . . 0.0 111.626 -173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.0 tt -118.33 156.18 20.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 123.49 0.716 . . . . 0.0 110.751 170.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 9.8 t70 -91.41 143.48 26.57 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.0 p -62.15 -26.31 68.25 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.449 0.642 . . . . 0.0 111.516 -176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -68.95 -34.64 75.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.601 -177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 5.0 mm-40 -61.44 -41.74 97.67 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 110.237 -178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.1 mt -72.33 -48.22 43.64 Favored 'General case' 0 C--O 1.249 1.07 0 C-N-CA 122.757 0.423 . . . . 0.0 110.819 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -97.82 29.55 3.35 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.239 -174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.535 HG23 HG23 ' A' ' 40' ' ' VAL . 8.9 t -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.791 178.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 HG23 ' A' ' 39' ' ' THR . 96.3 t -111.56 -65.91 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.154 178.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.77 -173.32 2.59 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 123.714 0.634 . . . . 0.0 109.627 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -129.34 3.14 5.13 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-O 122.202 1.001 . . . . 0.0 109.235 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -144.0 137.47 27.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.633 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.6 mm -121.82 138.66 51.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.4 t -102.16 143.02 15.42 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 62.9 mt -131.38 112.95 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -175.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.19 136.04 33.08 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.95 0.405 . . . . 0.0 110.766 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 81.6 t60 -147.12 86.17 1.62 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 122.859 0.463 . . . . 0.0 110.141 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.78 -122.46 5.78 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -90.81 -25.52 19.88 Favored 'General case' 0 C--O 1.233 0.192 0 O-C-N 122.709 -0.289 . . . . 0.0 110.991 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -81.38 149.66 28.76 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-O 120.576 0.227 . . . . 0.0 110.724 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -117.73 115.95 26.05 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.594 ' HB3' HD21 ' A' ' 65' ' ' LEU . 6.2 m-85 -100.23 154.67 18.27 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -176.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -131.19 110.13 10.92 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 122.207 0.203 . . . . 0.0 110.63 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 64' ' ' ILE . 60.0 tp -89.68 112.23 23.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 172.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 56' ' ' ARG . 22.1 ttt180 -123.99 144.89 49.55 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 120.349 0.118 . . . . 0.0 111.243 -171.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 62' ' ' LYS . 58.7 tp -105.3 134.5 48.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.413 ' HG1' ' H ' ' A' ' 62' ' ' LYS . 81.2 p -83.51 -178.42 7.04 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -67.71 78.65 0.19 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 121.717 -0.614 . . . . 0.0 110.633 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 71.84 -29.11 0.19 Allowed 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -53.45 -69.4 0.12 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 111.661 -173.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' O ' HD12 ' A' ' 57' ' ' LEU . 61.4 pttt -159.57 -165.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.412 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.7 pt? -135.62 161.97 34.04 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -147.13 169.8 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.137 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.594 HD21 ' HB3' ' A' ' 53' ' ' TYR . 3.4 tm? -124.38 113.51 18.29 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -128.41 161.81 28.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? . . . . . 0 C--O 1.255 1.36 0 CA-C-O 118.652 -0.69 . . . . 0.0 109.962 177.236 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.576 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 121.264 0.554 . . . . 0.0 111.591 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.37 164.51 24.67 Favored 'General case' 0 C--O 1.244 0.772 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.3 t -119.36 150.65 39.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.672 0.748 . . . . 0.0 110.439 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -158.71 17.22 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.507 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -70.33 135.32 48.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.454 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -87.41 129.05 35.18 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.585 ' N ' ' HD3' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -135.76 11.38 3.41 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.541 0.336 . . . . 0.0 111.011 -176.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tt -78.18 94.29 4.72 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.96 4.53 Favored Glycine 0 C--O 1.237 0.323 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.197 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.24 111.68 19.6 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 123.948 0.44 . . . . 0.0 110.766 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.98 129.29 85.07 Favored Pre-proline 0 N--CA 1.472 0.644 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.734 -177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.44 -43.61 17.22 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 121.764 1.643 . . . . 0.0 110.823 172.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 31.7 m 69.26 143.21 0.04 OUTLIER 'General case' 0 C--O 1.245 0.852 0 O-C-N 124.582 1.176 . . . . 0.0 111.163 177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.06 142.81 41.68 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.447 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.98 24.15 1.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 122.993 0.517 . . . . 0.0 111.293 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.05 101.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.506 0.669 . . . . 0.0 110.179 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 22.0 t -107.71 113.67 27.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.958 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -119.76 96.4 49.55 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.768 173.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -49.8 -54.38 5.55 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.22 3.28 . . . . 0.0 112.976 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.79 137.19 1.24 Allowed Glycine 0 N--CA 1.446 -0.689 0 CA-C-O 121.854 0.697 . . . . 0.0 113.606 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.3 170.99 38.2 Favored Glycine 0 CA--C 1.507 -0.418 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.66 121.3 44.74 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 119.083 1.441 . . . . 0.0 109.529 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.484 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 7.1 ptp180 -133.13 148.32 52.11 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.237 0.215 . . . . 0.0 110.894 -173.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.25 114.45 27.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.067 0.46 . . . . 0.0 110.099 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.593 HG23 HG23 ' A' ' 25' ' ' VAL . 23.8 m -108.55 132.02 57.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.199 0.523 . . . . 0.0 110.577 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.0 m -92.56 152.81 19.41 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -173.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 36.5 mm -120.9 125.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 O-C-N 124.381 1.051 . . . . 0.0 108.77 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 28' ' ' VAL . 21.1 m -108.73 105.1 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.218 0.532 . . . . 0.0 109.875 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.93 -68.89 3.34 Favored Glycine 0 N--CA 1.461 0.313 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -169.57 19.76 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.563 -0.818 . . . . 0.0 109.942 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -121.61 126.77 49.86 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.32 0.388 . . . . 0.0 111.602 -173.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.0 tt -118.71 156.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 123.285 0.634 . . . . 0.0 110.9 169.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.22 142.26 27.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.704 0.288 . . . . 0.0 110.468 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 23.9 p -60.51 -26.67 67.01 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-O 121.45 0.643 . . . . 0.0 111.818 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -69.67 -33.97 73.31 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.94 -42.25 97.82 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.643 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.484 ' HB3' HG13 ' B' ' 44' ' ' ILE . 91.9 mt -71.22 -48.56 50.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.429 0.633 . . . . 0.0 111.184 178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.51 ' CD2' HD12 ' B' ' 57' ' ' LEU . 67.6 m-85 -97.44 28.91 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.59 HG23 HG23 ' B' ' 40' ' ' VAL . 9.0 t -68.9 -31.74 70.87 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.468 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.59 HG23 HG23 ' B' ' 39' ' ' THR . 87.9 t -111.56 -66.67 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.91 -173.4 2.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.157 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -129.58 2.98 5.02 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.694 0.759 . . . . 0.0 109.113 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -143.98 137.07 27.48 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.075 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.484 HG13 ' HB3' ' B' ' 37' ' ' LEU . 44.8 mm -120.74 139.67 47.27 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.581 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 60.2 t -102.88 142.99 15.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.616 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.505 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 62.1 mt -130.95 111.68 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -175.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.7 136.11 33.14 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.256 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -146.94 86.34 1.64 Allowed 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.15 -121.72 5.55 Favored Glycine 0 C--O 1.244 0.732 0 C-N-CA 120.18 -1.01 . . . . 0.0 110.68 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.58 -24.63 18.65 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 121.924 -0.751 . . . . 0.0 110.822 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -81.54 150.81 28.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.486 -174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -118.53 116.07 25.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.75 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.525 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 58.6 m-85 -100.07 154.98 17.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -131.33 110.62 11.2 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 121.639 -0.663 . . . . 0.0 110.905 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 53.6 tp -90.33 111.2 22.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -122.91 145.65 48.28 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 120.9 0.381 . . . . 0.0 111.319 -171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' B' ' 38' ' ' PHE . 1.3 tt -105.51 133.69 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -82.45 -178.1 6.93 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.9 m -67.64 79.1 0.19 Allowed 'General case' 0 CA--C 1.537 0.468 0 O-C-N 122.018 -0.426 . . . . 0.0 110.233 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 71.36 -28.82 0.19 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.801 0.84 . . . . 0.0 112.837 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -53.49 -69.85 0.11 Allowed 'General case' 0 C--O 1.237 0.435 0 C-N-CA 122.995 0.518 . . . . 0.0 111.57 -174.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.458 ' O ' HD23 ' B' ' 57' ' ' LEU . 64.8 pttt -159.06 -165.68 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 122.697 0.399 . . . . 0.0 110.492 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.487 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.1 pt? -135.04 161.51 35.1 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -146.7 169.37 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' B' ' 53' ' ' TYR . 57.1 tp -124.51 112.48 16.91 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.2 t -124.73 158.6 32.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.692 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.525 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.067 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 121.937 0.875 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.651 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -145.49 161.52 39.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 t -139.9 152.14 46.17 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.296 0.238 . . . . 0.0 110.416 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.55 75.48 6.18 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 p -65.25 96.62 0.23 Allowed 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.986 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.07 107.35 8.59 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.44 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -119.69 22.55 11.56 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.544 1.164 . . . . 0.0 108.606 171.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.2 167.84 19.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.524 -1.217 . . . . 0.0 111.482 -171.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.4 149.49 6.93 Favored Glycine 0 C--O 1.249 1.05 0 CA-C-N 114.176 -1.374 . . . . 0.0 111.201 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.66 131.29 50.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.136 0.468 . . . . 0.0 111.03 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -81.25 115.81 58.76 Favored Pre-proline 0 N--CA 1.454 -0.259 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.92 109.8 0.39 Allowed 'Trans proline' 0 C--N 1.358 1.055 0 C-N-CA 122.626 2.218 . . . . 0.0 112.055 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.8 p -81.2 103.73 11.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -81.43 103.03 10.89 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 120.997 0.427 . . . . 0.0 111.097 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.2 120.41 21.12 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.137 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.84 129.18 35.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -73.21 81.39 1.31 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.046 173.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 17.1 p -65.3 111.97 7.31 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 122.913 0.485 . . . . 0.0 111.399 -173.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 18' ' ' SER . 2.8 Cg_exo -77.68 -20.01 12.37 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 124.399 3.399 . . . . 0.0 112.22 176.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.13 -120.82 7.36 Favored Glycine 0 N--CA 1.434 -1.489 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 -177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.45 -175.45 41.85 Favored Glycine 0 CA--C 1.504 -0.656 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -114.38 135.71 53.79 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 118.127 0.964 . . . . 0.0 109.865 -178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -150.1 168.61 23.41 Favored 'General case' 0 N--CA 1.448 -0.555 0 O-C-N 121.905 -0.497 . . . . 0.0 109.95 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' B' ' 26' ' ' SER . . . -115.45 111.71 21.19 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.504 0.669 . . . . 0.0 109.746 178.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -97.02 144.53 10.45 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.565 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 176.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' C ' HD12 ' A' ' 27' ' ' ILE . 51.0 m -104.04 157.02 17.4 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.463 -0.773 . . . . 0.0 112.479 -174.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.682 HG21 HG11 ' B' ' 40' ' ' VAL . 2.0 mp -118.55 123.79 72.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 177.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 m -101.52 101.02 11.53 Favored 'Isoleucine or valine' 0 C--O 1.246 0.889 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.332 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' B' ' 19' ' ' PRO . . . 79.97 -72.6 2.57 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -161.69 20.67 0.11 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.604 -0.798 . . . . 0.0 108.855 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -111.07 159.05 18.15 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.428 -177.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.7 tt -156.29 150.86 9.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 O-C-N 124.016 0.823 . . . . 0.0 109.293 -179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -96.9 122.16 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 t -52.47 -38.3 59.1 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.446 0.466 . . . . 0.0 112.237 -176.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -60.91 -36.69 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 6.0 mm-40 -61.5 -31.39 71.38 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.044 0.449 . . . . 0.0 110.178 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.16 -54.23 7.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 75.7 m-85 -78.3 -0.58 29.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -173.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 36' ' ' GLU . 5.1 t -78.89 -12.91 60.05 Favored 'General case' 0 N--CA 1.437 -1.098 0 O-C-N 121.66 -0.65 . . . . 0.0 109.845 174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 t -76.36 -53.47 15.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -157.92 166.02 33.68 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 165.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -65.02 -4.13 4.34 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -135.69 134.83 39.55 Favored 'General case' 0 C--O 1.244 0.813 0 O-C-N 121.604 -0.685 . . . . 0.0 111.37 177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.4 mm -118.31 135.62 58.14 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 122.774 0.43 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.4 t -102.38 140.93 19.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.2 mt -132.25 106.69 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -173.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.03 134.69 35.02 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 121.623 -0.673 . . . . 0.0 110.776 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -144.72 95.61 2.73 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.598 0.561 . . . . 0.0 110.0 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.18 -108.76 3.04 Favored Glycine 0 N--CA 1.437 -1.257 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 175.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -20.19 13.42 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.368 0.584 . . . . 0.0 110.987 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -100.34 166.74 10.82 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 122.167 -0.333 . . . . 0.0 111.262 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -129.81 123.91 32.06 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 122.901 0.48 . . . . 0.0 109.972 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.497 ' HD2' HD11 ' A' ' 65' ' ' LEU . 49.9 m-85 -104.16 166.41 10.43 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.293 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -134.5 113.71 12.09 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.006 178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 64' ' ' ILE . 28.1 tp -94.01 117.46 30.14 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 173.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.69 146.87 50.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.301 0.572 . . . . 0.0 111.186 -171.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 58' ' ' THR . 1.4 tt -103.27 137.94 40.73 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 61' ' ' ASN . 37.4 p -88.14 -178.26 5.91 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 m -65.15 78.61 0.05 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.074 0.464 . . . . 0.0 111.985 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 60' ' ' GLN . 28.6 tt0 61.54 16.63 7.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.252 175.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.754 HD22 ' HG3' ' A' ' 62' ' ' LYS . 4.9 t30 -97.96 -67.8 0.83 Allowed 'General case' 0 C--O 1.242 0.663 0 O-C-N 121.706 -0.621 . . . . 0.0 111.381 -174.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.754 ' HG3' HD22 ' A' ' 61' ' ' ASN . 1.4 pptp? -163.42 -167.8 1.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.011 0.524 . . . . 0.0 111.194 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -127.65 157.91 38.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 118.002 0.365 . . . . 0.0 110.878 -178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.4 pp -144.66 169.22 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 123.336 0.397 . . . . 0.0 111.44 -175.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.6 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -112.39 141.68 45.83 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.6 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.9 t -165.09 179.28 6.45 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -170.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.8 pttt . . . . . 0 C--O 1.256 1.405 0 CA-C-O 117.787 -1.101 . . . . 0.0 108.889 168.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' B' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.432 ' SD ' ' N ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -83.85 169.28 15.29 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.137 178.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.8 t -56.93 135.56 56.03 Favored 'General case' 0 C--O 1.242 0.709 0 CA-C-O 121.579 0.704 . . . . 0.0 111.092 -175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.79 103.39 7.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.962 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -140.71 151.56 44.62 Favored 'General case' 0 C--O 1.247 0.941 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.284 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -159.14 131.86 6.89 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 122.641 0.377 . . . . 0.0 111.271 -178.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -148.16 116.96 6.7 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 123.081 0.553 . . . . 0.0 110.45 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.71 93.47 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.632 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.71 81.87 0.51 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 104.57 0.16 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.431 -0.385 . . . . 0.0 111.203 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -64.82 115.5 21.22 Favored Pre-proline 0 C--N 1.318 -0.769 0 O-C-N 123.781 0.676 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.54 -16.63 34.28 Favored 'Trans proline' 0 C--O 1.249 1.033 0 C-N-CA 123.085 2.523 . . . . 0.0 112.594 -178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 29.2 m 58.62 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 123.807 0.692 . . . . 0.0 110.93 -177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' B' ' 14' ' ' GLN . 2.8 pm0 -73.23 84.41 1.38 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.87 0.843 . . . . 0.0 109.606 176.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.86 100.03 1.57 Allowed 'General case' 0 C--O 1.245 0.831 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.36 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.24 78.39 1.55 Allowed 'General case' 0 C--N 1.308 -1.218 0 O-C-N 123.801 0.688 . . . . 0.0 111.094 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -174.72 158.13 2.62 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.418 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.1 m -103.98 97.3 10.95 Favored Pre-proline 0 C--O 1.246 0.885 0 C-N-CA 123.069 0.548 . . . . 0.0 111.008 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.449 ' O ' ' HA2' ' A' ' 29' ' ' GLY . 50.8 Cg_endo -68.09 -31.69 29.43 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.778 2.986 . . . . 0.0 112.055 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.9 -111.15 2.57 Favored Glycine 0 C--N 1.334 0.472 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.631 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.48 159.19 32.42 Favored Glycine 0 C--O 1.243 0.685 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -114.6 129.87 56.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 117.538 0.669 . . . . 0.0 109.676 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -143.46 168.31 20.13 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.0 111.86 21.78 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.602 0.564 . . . . 0.0 109.956 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.96 145.23 9.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 122.807 0.443 . . . . 0.0 110.328 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 24' ' ' ALA . 17.2 p -103.75 156.78 17.54 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.836 0.827 . . . . 0.0 111.411 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mm -119.05 123.03 70.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' B' ' 31' ' ' GLN . 15.8 m -101.63 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.862 0.363 . . . . 0.0 110.496 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.43 -71.45 2.81 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 111.131 -0.787 . . . . 0.0 111.131 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -162.18 21.2 0.1 Allowed 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 168.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' B' ' 32' ' ' ILE . 21.8 tt0 -111.25 159.23 18.11 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.953 -177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.45 ' N ' ' HG2' ' B' ' 31' ' ' GLN . 11.3 tt -156.18 151.35 9.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -97.61 122.42 40.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.4 t -52.15 -38.64 58.2 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.295 0.638 . . . . 0.0 112.447 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -61.13 -36.11 78.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.558 0.536 . . . . 0.0 110.415 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.455 ' O ' HG22 ' B' ' 39' ' ' THR . 43.1 mm-40 -62.32 -31.19 71.77 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.869 -0.151 . . . . 0.0 110.8 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.595 ' O ' HG12 ' B' ' 40' ' ' VAL . 96.2 mt -75.36 -54.54 6.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.208 0.528 . . . . 0.0 110.751 175.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' B' ' 57' ' ' LEU . 80.2 m-85 -78.38 -1.05 31.52 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 122.118 -0.364 . . . . 0.0 111.699 -172.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.455 HG22 ' O ' ' B' ' 36' ' ' GLU . 4.4 t -78.68 -12.7 60.03 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.732 174.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.682 HG11 HG21 ' A' ' 27' ' ' ILE . 8.9 p -76.42 -52.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.43 164.09 34.86 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 166.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -64.74 -2.63 2.61 Favored 'General case' 0 CA--C 1.557 1.243 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -174.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -137.44 134.05 35.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 32.2 mm -117.08 135.46 57.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.004 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -101.64 141.0 18.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 174.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 54.8 mt -132.56 106.42 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 -173.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.32 135.38 35.21 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 123.443 0.464 . . . . 0.0 110.652 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -144.95 95.13 2.64 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.352 -0.217 . . . . 0.0 110.499 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.52 -108.72 3.07 Favored Glycine 0 C--O 1.25 1.117 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.586 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.32 -21.53 13.07 Favored 'General case' 0 C--O 1.247 0.93 0 CA-C-N 117.356 0.578 . . . . 0.0 110.848 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -100.47 166.45 10.93 Favored 'General case' 0 C--N 1.34 0.196 0 O-C-N 121.918 -0.489 . . . . 0.0 110.992 -173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -129.02 124.42 34.88 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.32 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.93 165.29 11.14 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 123.85 0.719 . . . . 0.0 109.356 -175.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -134.33 113.9 12.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.919 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.1 tp -93.79 116.41 28.88 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 173.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 56' ' ' ARG . 44.9 ttm180 -126.56 145.95 50.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.438 -0.788 . . . . 0.0 111.465 -171.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' B' ' 38' ' ' PHE . 1.1 tt -103.53 138.01 40.82 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 18.5 p -87.44 -178.25 6.11 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -64.86 79.55 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.114 0 C-N-CA 122.277 0.231 . . . . 0.0 111.137 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 59.45 15.59 4.57 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.041 0.936 . . . . 0.0 113.034 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -97.82 -66.23 0.91 Allowed 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.896 -173.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 -167.94 1.42 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.255 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.55 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.2 pt? -127.24 158.62 36.68 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.411 -177.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.469 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.5 pp -145.04 169.79 7.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 123.727 0.642 . . . . 0.0 111.374 -175.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 34.8 tp -112.08 140.93 46.36 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.1 t -165.4 179.19 6.32 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 51.6 pttt . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.631 -0.699 . . . . 0.0 109.476 167.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ptm -70.02 121.55 17.64 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.038 0.447 . . . . 0.0 110.124 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 p -103.14 136.99 41.91 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.025 0.44 . . . . 0.0 110.464 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.57 99.57 3.38 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.058 -0.973 . . . . 0.0 108.615 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p -165.41 116.55 1.1 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 122.94 0.496 . . . . 0.0 110.065 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -75.67 162.93 27.81 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.161 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -125.53 19.43 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.567 0.542 . . . . 0.0 110.302 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -68.51 149.83 48.78 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.16 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.89 93.46 0.09 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.04 152.97 32.72 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.875 0.369 . . . . 0.0 110.708 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.9 128.51 78.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.227 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -87.27 46.5 1.39 Allowed 'Trans proline' 0 N--CA 1.486 1.071 0 C-N-CA 123.646 2.898 . . . . 0.0 111.21 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.3 p -69.41 91.02 0.54 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 -176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -117.56 94.55 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.877 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.2 127.69 33.84 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.325 -175.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.71 85.44 0.47 Allowed 'General case' 0 C--O 1.247 0.925 0 O-C-N 123.455 0.472 . . . . 0.0 110.466 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -64.9 131.11 45.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.303 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.6 m -116.28 97.93 50.56 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.541 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.65 157.18 56.33 Favored 'Trans proline' 0 C--O 1.243 0.725 0 C-N-CA 121.861 1.708 . . . . 0.0 111.208 176.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.23 -161.16 12.13 Favored Glycine 0 N--CA 1.44 -1.069 0 O-C-N 121.965 -0.46 . . . . 0.0 112.717 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.15 138.78 7.48 Favored Glycine 0 C--N 1.333 0.368 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.35 145.1 31.21 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 122.161 -0.611 . . . . 0.0 110.785 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.53 HH12 ' HA ' ' A' ' 36' ' ' GLU . 7.4 ptm180 -144.01 162.96 34.86 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -110.78 104.98 13.68 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 122.646 0.378 . . . . 0.0 110.909 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -96.18 145.78 8.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' HD12 ' A' ' 27' ' ' ILE . 9.5 p -100.81 153.85 19.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.29 0.567 . . . . 0.0 112.036 -176.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.526 HD13 HG22 ' B' ' 25' ' ' VAL . 1.7 mp -126.65 129.57 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.3 m -103.17 94.77 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-O 121.124 0.487 . . . . 0.0 109.942 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.18 -76.6 0.74 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -157.61 55.76 0.49 Allowed 'General case' 0 C--N 1.312 -1.04 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' HG3' ' HB ' ' B' ' 45' ' ' VAL . 17.2 tt0 -150.78 154.4 37.25 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 123.791 0.682 . . . . 0.0 111.203 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 15.3 tt -161.99 161.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' ILE . 12.1 t70 -103.7 131.07 51.2 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -51.34 -34.06 32.13 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.647 0.779 . . . . 0.0 112.31 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' C ' ' HD3' ' A' ' 35' ' ' ARG . 2.5 tmt_? -61.15 -36.11 78.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.897 -176.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HA ' HH12 ' A' ' 23' ' ' ARG . 6.3 mm-40 -61.33 -36.8 81.15 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 123.372 0.42 . . . . 0.0 111.569 -178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.02 -51.99 8.84 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.905 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 44' ' ' ILE . 84.1 m-85 -88.38 31.88 0.8 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 122.721 0.408 . . . . 0.0 111.526 -175.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 1.96 10.57 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.426 HG13 ' H ' ' A' ' 41' ' ' ASP . 2.1 p -146.81 -54.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 O-C-N 122.027 -0.421 . . . . 0.0 110.96 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' H ' HG13 ' A' ' 40' ' ' VAL . 9.6 t70 -110.94 143.29 41.82 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.559 ' HD2' ' N ' ' A' ' 42' ' ' ARG . 2.2 mpt_? -88.55 21.23 3.02 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 117.899 0.318 . . . . 0.0 110.368 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -151.14 137.15 18.23 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' CE1' ' A' ' 38' ' ' PHE . 50.0 mm -120.54 146.64 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.644 -175.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 31' ' ' GLN . 59.8 t -104.26 141.24 20.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 O-C-N 123.964 0.79 . . . . 0.0 109.009 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 52.1 mt -133.0 110.15 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -175.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.11 132.89 35.08 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -147.12 101.05 3.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.632 178.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.34 -85.09 0.86 Allowed Glycine 0 C--O 1.238 0.346 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -149.64 -1.2 0.45 Allowed 'General case' 0 C--O 1.245 0.817 0 C-N-CA 122.806 0.442 . . . . 0.0 110.661 171.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -100.69 173.31 6.59 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.4 mmt-85 -123.19 121.72 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.42 ' HD2' HD11 ' A' ' 65' ' ' LEU . 46.4 m-85 -104.92 164.39 11.82 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.47 175.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.643 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 37.4 mtp180 -136.79 123.28 20.84 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.098 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 HD11 HD12 ' A' ' 63' ' ' LEU . 55.6 tp -96.86 111.08 23.43 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 174.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -108.64 134.9 50.75 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.115 0.483 . . . . 0.0 110.96 -173.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.7 tp -105.66 151.44 24.39 Favored 'General case' 0 CA--C 1.508 -0.664 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' SER . 20.9 p -110.25 145.6 37.07 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 54.6 p 18.39 -89.82 0.0 OUTLIER 'General case' 0 C--N 1.347 0.483 0 O-C-N 125.04 1.462 . . . . 0.0 111.995 -175.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -146.18 21.57 1.38 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -85.34 -71.81 0.51 Allowed 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.731 -171.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -148.6 174.13 12.45 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.831 0.348 . . . . 0.0 110.343 -173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.6 pt? -129.22 157.89 40.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.667 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -152.81 171.91 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 C-N-CA 124.012 0.925 . . . . 0.0 110.69 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD13 ' N ' ' A' ' 66' ' ' THR . 3.1 tm? -104.99 148.89 26.24 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.601 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.2 t -164.32 170.11 16.58 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.643 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.426 -0.797 . . . . 0.0 108.932 177.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 C--O 1.241 0.642 0 CA-C-O 120.98 0.419 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.22 77.79 4.71 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.1 t -73.26 87.54 1.48 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-O 121.943 0.877 . . . . 0.0 110.476 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -123.93 24.01 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.692 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -109.49 2.99 20.84 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.204 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.73 128.79 38.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.243 178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -99.42 119.79 38.55 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.748 177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.451 ' N ' HD23 ' B' ' 8' ' ' LEU . 2.3 pt? -152.84 156.38 38.89 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.103 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.51 129.05 1.14 Allowed Glycine 0 C--O 1.243 0.657 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.017 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.13 117.07 33.37 Favored 'General case' 0 C--O 1.248 1.005 0 C-N-CA 122.343 0.257 . . . . 0.0 111.083 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -74.62 124.67 89.88 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -65.25 -37.98 29.11 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 122.278 1.985 . . . . 0.0 112.388 -177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 28.2 m 71.17 -58.3 0.58 Allowed 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.483 1.114 . . . . 0.0 112.365 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.85 144.1 56.48 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 111.483 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.5 93.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.112 174.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.01 138.56 39.67 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.603 -174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 56.6 m -147.58 115.23 6.37 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.892 174.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 16.2 m -73.89 138.07 76.44 Favored Pre-proline 0 C--O 1.242 0.7 0 O-C-N 122.102 -0.374 . . . . 0.0 110.577 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.65 156.73 40.82 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.26 2.64 . . . . 0.0 111.781 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.85 -117.31 1.27 Allowed Glycine 0 C--N 1.334 0.431 0 C-N-CA 120.423 -0.894 . . . . 0.0 112.206 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.53 98.05 2.4 Favored Glycine 0 C--O 1.236 0.265 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -108.23 140.79 40.95 Favored 'General case' 0 C--O 1.247 0.943 0 CA-C-N 117.883 0.842 . . . . 0.0 109.628 -174.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -145.73 163.03 36.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.14 106.09 15.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.187 0.304 . . . . 0.0 110.855 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.526 HG22 HD13 ' A' ' 27' ' ' ILE . 33.5 m -96.63 145.18 9.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.335 179.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.7 p -99.91 153.59 19.04 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.08 0.467 . . . . 0.0 112.162 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 mm -126.22 129.32 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.08 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 m -103.86 95.02 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.468 0.652 . . . . 0.0 109.648 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.54 -77.06 0.77 Allowed Glycine 0 CA--C 1.509 -0.329 0 N-CA-C 110.299 -1.121 . . . . 0.0 110.299 -176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.406 ' HB2' HD13 ' A' ' 44' ' ' ILE . 29.7 p-10 -157.77 56.52 0.48 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.753 0.787 . . . . 0.0 109.698 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.423 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 1.3 tm0? -151.6 154.52 36.6 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.045 -178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.474 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.5 tt -161.79 162.62 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 114.891 -1.049 . . . . 0.0 108.672 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.474 ' N ' HG12 ' B' ' 32' ' ' ILE . 9.8 t70 -105.05 131.5 52.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 176.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 43.4 t -51.87 -33.9 38.6 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.374 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -60.62 -36.88 79.69 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.98 0.175 . . . . 0.0 110.552 -176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -60.27 -37.52 80.7 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.526 0.516 . . . . 0.0 110.953 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.78 -53.31 7.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.903 0.858 . . . . 0.0 110.836 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' B' ' 44' ' ' ILE . 89.0 m-85 -88.08 32.06 0.77 Allowed 'General case' 0 C--O 1.245 0.858 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.994 -175.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 14.0 t -74.34 2.32 9.59 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.404 HG13 ' N ' ' B' ' 41' ' ' ASP . 3.8 p -147.59 -53.38 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-O 120.863 0.363 . . . . 0.0 111.134 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.404 ' N ' HG13 ' B' ' 40' ' ' VAL . 29.6 t0 -111.25 143.3 42.25 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -89.26 20.36 3.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.371 0.605 . . . . 0.0 110.384 -176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -149.87 138.31 20.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.339 173.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' B' ' 54' ' ' ARG . 46.9 mm -121.47 146.56 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.576 -175.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.477 ' HB ' ' HG3' ' A' ' 31' ' ' GLN . 59.2 t -103.79 141.39 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 121.409 0.624 . . . . 0.0 109.586 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 53.2 mt -133.6 109.31 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.47 133.39 34.9 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -147.74 101.53 3.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.298 0.571 . . . . 0.0 111.205 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 96.21 -84.18 0.84 Allowed Glycine 0 CA--C 1.5 -0.847 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -151.21 -0.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 172.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.75 172.95 6.75 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -124.01 121.92 36.53 Favored 'General case' 0 C--O 1.245 0.818 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -105.84 165.22 11.34 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 69.3 mtt180 -137.97 124.51 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.956 0.785 . . . . 0.0 109.983 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.456 HD11 HD12 ' B' ' 63' ' ' LEU . 50.8 tp -97.12 111.21 23.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 173.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -108.31 133.65 52.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.944 -172.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.414 HD12 ' O ' ' B' ' 62' ' ' LYS . 44.9 tp -104.89 152.17 22.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 59' ' ' SER . 52.3 p -109.78 145.72 36.2 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 58' ' ' THR . 11.0 m 16.11 -88.88 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.55 1.14 . . . . 0.0 112.105 -174.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -145.83 20.97 1.46 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 169.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.35 -71.42 0.53 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.273 -170.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.414 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.7 OUTLIER -148.07 174.13 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 122.799 0.439 . . . . 0.0 110.998 -173.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.478 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.3 pt? -130.22 159.03 38.11 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.647 0.379 . . . . 0.0 110.162 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -153.58 171.15 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.172 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 tp -104.74 149.16 25.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' B' ' 67' ' ' LYS . 13.9 t -165.03 171.09 14.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.372 -175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' B' ' 66' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.898 0 C-N-CA 123.337 0.655 . . . . 0.0 109.239 170.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 120.723 0.297 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 53.7 ttp -62.5 83.04 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.587 0.708 . . . . 0.0 111.349 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.8 m -114.77 92.62 4.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.081 173.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.1 97.11 2.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.846 -176.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -125.13 95.02 4.34 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.696 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -83.51 145.7 28.77 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.186 -177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.579 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -150.8 154.09 36.65 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.208 0.528 . . . . 0.0 110.314 -179.496 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -129.75 120.92 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 123.41 0.684 . . . . 0.0 109.914 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.01 -3.74 6.22 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.435 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.01 69.26 2.34 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-O 121.568 0.699 . . . . 0.0 110.54 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.9 p-10 -77.15 140.05 65.56 Favored Pre-proline 0 N--CA 1.454 -0.239 0 CA-C-O 121.131 0.491 . . . . 0.0 110.244 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 11.5 Cg_exo -71.19 101.81 1.16 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 122.275 1.983 . . . . 0.0 112.236 -177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.0 p -91.77 79.44 5.36 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -109.23 21.74 16.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.702 -175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.97 90.59 1.97 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.649 0.737 . . . . 0.0 110.584 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.93 103.25 15.86 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.966 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.1 m -62.09 105.74 0.63 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.827 0.346 . . . . 0.0 110.306 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 m -79.2 117.71 68.47 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HG2' HG21 ' A' ' 40' ' ' VAL . 66.5 Cg_endo -70.53 141.3 41.75 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.321 2.014 . . . . 0.0 112.512 -174.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.0 45.6 1.08 Allowed Glycine 0 C--N 1.337 0.631 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.64 -143.49 6.88 Favored Glycine 0 CA--C 1.502 -0.746 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -97.87 125.61 42.83 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.662 ' NH2' HG23 ' A' ' 40' ' ' VAL . 6.7 ptp180 -125.38 139.85 53.31 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.327 -177.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.87 120.49 39.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.992 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' B' ' 25' ' ' VAL . 27.5 m -116.43 134.97 58.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.536 0.684 . . . . 0.0 110.685 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.7 m -96.44 155.27 16.83 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.723 0.773 . . . . 0.0 111.592 -176.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 32.6 mm -120.7 124.24 71.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.004 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.6 m -101.86 98.7 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.68 -69.0 3.11 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 110.121 -1.192 . . . . 0.0 110.121 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -164.9 19.02 0.05 Allowed 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 122.912 0.485 . . . . 0.0 109.826 170.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' HG22 ' A' ' 28' ' ' VAL . 28.6 tt0 -119.05 122.79 42.93 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 -174.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 14.2 tt -112.97 158.77 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.677 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -98.98 143.26 29.46 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.1 p -61.13 -25.67 67.15 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.886 0.741 . . . . 0.0 111.489 -179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 2.2 tmt_? -67.42 -37.86 83.69 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.051 -177.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -57.72 -42.87 84.7 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.398 0.618 . . . . 0.0 110.801 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 ' HB3' HG13 ' A' ' 44' ' ' ILE . 96.2 mt -74.61 -52.28 12.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -97.53 29.73 3.18 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.559 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.536 HG23 HG22 ' A' ' 40' ' ' VAL . 4.4 t -62.43 -46.47 88.41 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.444 0.64 . . . . 0.0 111.274 177.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' NH2' ' A' ' 23' ' ' ARG . 3.5 m -137.56 80.51 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.751 173.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.572 ' HB2' ' O ' ' A' ' 40' ' ' VAL . 5.0 t70 161.54 174.41 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.639 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -135.56 -1.78 2.5 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 121.231 -0.918 . . . . 0.0 111.952 178.015 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -146.1 135.01 22.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.75 -0.594 . . . . 0.0 110.818 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 37' ' ' LEU . 44.2 mm -120.1 140.01 45.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.529 179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.41 143.5 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 O-C-N 121.83 -0.544 . . . . 0.0 109.875 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 55.2 mt -131.83 105.54 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.08 135.66 35.84 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 123.755 0.66 . . . . 0.0 109.611 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -142.9 95.77 2.82 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 122.493 0.317 . . . . 0.0 111.075 175.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.55 -118.46 5.24 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.153 174.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.3 -26.03 21.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 123.928 0.428 . . . . 0.0 110.003 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -99.5 166.01 11.36 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 123.399 0.679 . . . . 0.0 111.446 -171.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -131.07 130.75 43.61 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' HB3' HD21 ' A' ' 65' ' ' LEU . 39.7 m-85 -112.56 171.89 7.25 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.932 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.604 ' HB2' HG23 ' A' ' 66' ' ' THR . 74.9 mtt180 -139.92 128.48 22.96 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.715 177.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.6 tp -102.1 115.88 31.49 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.8 ttt85 -123.01 144.68 49.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.344 -172.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 62' ' ' LYS . 59.1 tp -109.98 140.3 44.14 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 124.194 0.933 . . . . 0.0 110.282 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.9 p -78.33 174.41 11.28 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 123.357 0.411 . . . . 0.0 110.146 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 m -86.6 5.6 34.99 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 122.261 -0.275 . . . . 0.0 110.806 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -167.95 -43.89 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -78.22 -74.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -166.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 57' ' ' LEU . 26.1 pttm -161.15 -162.86 0.95 Allowed 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.628 -169.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 63' ' ' LEU . 1.4 pt? -128.08 155.02 45.05 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.41 170.42 3.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.038 -171.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 66' ' ' THR . 3.4 tm? -103.59 146.29 28.78 Favored 'General case' 0 C--O 1.242 0.678 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 177.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.614 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.0 t -161.35 153.1 19.31 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -175.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.888 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 26.4 ptm -176.81 177.78 1.29 Allowed 'General case' 0 C--O 1.232 0.149 0 O-C-N 123.567 0.542 . . . . 0.0 110.043 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -142.76 122.85 13.68 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.08 139.17 45.49 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.776 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t -160.36 120.7 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.224 0.535 . . . . 0.0 109.567 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -151.11 90.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -143.67 143.29 31.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.123 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.542 ' N ' HD23 ' B' ' 8' ' ' LEU . 1.2 pt? -155.85 84.05 1.02 Allowed 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.719 0.771 . . . . 0.0 110.11 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.22 9.85 7.39 Favored Glycine 0 C--O 1.239 0.46 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.825 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.23 107.89 19.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.908 0.385 . . . . 0.0 110.429 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -159.24 150.22 16.14 Favored Pre-proline 0 C--O 1.234 0.255 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -75.44 -26.04 10.63 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.063 2.509 . . . . 0.0 112.544 -176.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 27.9 m 64.16 102.32 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.983 0.897 . . . . 0.0 109.79 -173.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.85 82.38 0.91 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.328 -176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.93 36.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.844 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 55.43 30.56 15.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 123.285 0.634 . . . . 0.0 110.476 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 8.3 p -63.45 84.19 0.03 OUTLIER 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.014 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.4 m -95.89 111.54 56.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.376 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -87.44 167.6 7.55 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 122.345 2.03 . . . . 0.0 113.28 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.44 -66.06 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.839 0 O-C-N 124.177 0.923 . . . . 0.0 110.982 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.97 -125.68 39.63 Favored Glycine 0 C--N 1.341 0.815 0 CA-C-O 121.095 0.275 . . . . 0.0 112.987 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.86 129.92 38.63 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.578 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 11.7 ptp180 -129.52 141.97 50.87 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -173.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -99.26 120.44 39.55 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.542 -177.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.547 HG23 HG23 ' A' ' 25' ' ' VAL . 29.2 m -116.11 133.43 62.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 122.825 0.45 . . . . 0.0 110.463 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -93.84 154.55 17.67 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 121.218 0.533 . . . . 0.0 112.09 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 32.9 mm -121.05 123.78 70.79 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 123.92 0.888 . . . . 0.0 109.32 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 28' ' ' VAL . 18.5 m -102.59 97.93 6.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.856 0.36 . . . . 0.0 110.031 -177.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.6 -68.48 3.35 Favored Glycine 0 C--O 1.228 -0.228 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 -176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -165.84 19.12 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 170.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -118.33 122.7 43.52 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt -113.35 158.84 13.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.602 170.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -99.08 143.61 29.15 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.226 175.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.1 p -61.72 -25.66 67.57 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 123.236 0.615 . . . . 0.0 111.599 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.24 -37.12 80.47 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.713 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -58.14 -42.8 86.65 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.288 0.566 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.509 ' HB3' HG13 ' B' ' 44' ' ' ILE . 95.8 mt -75.02 -51.15 14.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.131 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -99.03 31.1 3.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 121.643 0.735 . . . . 0.0 111.308 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 7.2 t -63.9 -45.97 86.95 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.951 178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.553 ' O ' ' HB2' ' B' ' 41' ' ' ASP . 28.7 t -137.8 80.64 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.78 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 174.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 40' ' ' VAL . 2.8 t70 161.48 175.21 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 -177.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -137.41 -0.19 2.22 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.452 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -145.9 135.0 22.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.182 -0.324 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.5 mm -120.42 140.49 44.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -100.51 144.21 12.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 67.6 mt -131.82 105.02 9.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 122.789 0.436 . . . . 0.0 110.007 -177.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.59 35.52 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -143.59 96.44 2.91 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.191 0.519 . . . . 0.0 110.819 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.12 -118.68 5.17 Favored Glycine 0 CA--C 1.499 -0.942 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.92 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.77 -26.06 21.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -99.36 165.98 11.41 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.001 0.52 . . . . 0.0 111.74 -172.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 57.3 mmt-85 -130.92 129.54 42.33 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 123.054 0.542 . . . . 0.0 109.7 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.49 172.24 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.528 ' HB2' HG23 ' B' ' 66' ' ' THR . 56.4 mtm180 -139.57 129.06 24.28 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 121.498 0.666 . . . . 0.0 110.409 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.421 HD11 HD12 ' B' ' 63' ' ' LEU . 59.6 tp -102.6 115.43 30.56 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -122.6 145.22 48.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.049 0.452 . . . . 0.0 111.236 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -110.61 139.57 45.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.885 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 71.0 p -78.1 175.04 10.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.443 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.9 m -87.27 6.19 34.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.327 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -168.57 -45.83 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.354 0.597 . . . . 0.0 112.254 -174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -77.83 -74.71 0.25 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -166.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -159.52 -162.06 0.99 Allowed 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.767 0.317 . . . . 0.0 110.448 -169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.8 pt? -128.04 155.31 44.54 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.58 170.3 3.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -172.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 tp -103.61 146.08 29.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 124.423 1.077 . . . . 0.0 108.684 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' ' 54' ' ' ARG . 9.5 t -161.6 159.84 28.12 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.03 0.443 . . . . 0.0 110.782 -175.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt . . . . . 0 C--O 1.244 0.791 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.252 -178.223 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.337 0.113 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 2' ' ' MET . 49.1 tpp -156.74 22.44 0.33 Allowed 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.1 0.476 . . . . 0.0 110.645 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.7 m -60.19 -33.55 72.37 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.266 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.73 88.03 7.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.623 0.725 . . . . 0.0 109.988 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -127.31 41.04 3.59 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.853 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.42 159.2 34.95 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -77.24 87.13 3.67 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 121.947 -0.471 . . . . 0.0 111.956 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mp -68.96 92.36 0.51 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.146 -0.686 . . . . 0.0 109.146 171.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.52 44.28 0.23 Allowed Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.586 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.87 92.8 4.4 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 110.103 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 10.7 p-10 -114.39 116.32 44.1 Favored Pre-proline 0 CA--C 1.543 0.705 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.369 -178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 22.0 Cg_exo -66.47 155.53 69.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 123.143 2.562 . . . . 0.0 111.693 177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.8 t -148.9 120.79 8.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 109.838 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.8 98.75 1.94 Allowed 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.0 24.99 8.09 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.6 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.67 92.67 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 O-C-N 123.592 0.558 . . . . 0.0 110.985 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 m -95.61 128.24 42.31 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.043 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.9 t -151.37 89.24 4.22 Favored Pre-proline 0 C--O 1.243 0.731 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.07 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -90.99 -167.64 0.23 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 123.348 2.698 . . . . 0.0 111.363 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.37 -71.36 0.87 Allowed Glycine 0 C--O 1.24 0.48 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 173.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 52.15 -134.23 36.94 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.194 0.585 . . . . 0.0 112.57 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -94.2 137.89 32.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.6 ptt-85 -140.25 151.23 44.97 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.27 127.37 52.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.949 0.404 . . . . 0.0 110.689 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.0 m -119.96 137.99 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.375 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.464 ' C ' HD12 ' A' ' 27' ' ' ILE . 12.8 p -97.93 154.35 17.73 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.8 mp -119.25 126.56 75.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.752 0 CA-C-N 114.184 -1.371 . . . . 0.0 107.354 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.6 m -96.86 95.77 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.283 0.563 . . . . 0.0 110.001 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 -78.12 1.61 Allowed Glycine 0 CA--C 1.503 -0.67 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -148.16 14.79 1.02 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.262 0.225 . . . . 0.0 110.424 176.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -121.29 121.96 38.83 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 111.424 -176.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' A' ' 27' ' ' ILE . 15.5 tt -104.33 157.84 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 171.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 35' ' ' ARG . 10.1 t0 -105.97 132.39 52.12 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.719 0.407 . . . . 0.0 110.544 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 t -60.7 -25.09 66.15 Favored 'General case' 0 C--O 1.245 0.865 0 O-C-N 124.183 0.927 . . . . 0.0 111.764 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -68.76 -34.67 75.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.767 -179.017 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.52 -49.61 76.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.262 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.23 -47.9 59.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.152 0.501 . . . . 0.0 111.271 -177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -98.79 29.35 3.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.21 -173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 HG23 ' A' ' 40' ' ' VAL . 9.9 t -56.91 -31.53 65.0 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.499 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG23 HG23 ' A' ' 39' ' ' THR . 85.0 t -129.53 -47.42 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.635 0.731 . . . . 0.0 110.623 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.13 173.15 10.5 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 121.252 0.549 . . . . 0.0 111.016 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.9 ttt-85 -119.12 -7.07 10.39 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 122.024 0.916 . . . . 0.0 109.403 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' OE2' ' HD2' ' A' ' 54' ' ' ARG . 35.0 tt0 -149.07 141.31 24.04 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.982 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.9 mm -128.84 146.0 34.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 C-N-CA 123.399 0.68 . . . . 0.0 109.325 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.3 t -100.17 143.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 66.5 mt -129.57 105.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -177.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.63 135.23 34.27 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.353 0.596 . . . . 0.0 110.754 -178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' CE1' HD21 ' B' ' 57' ' ' LEU . 75.6 t60 -143.91 96.74 2.94 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 122.018 -0.426 . . . . 0.0 110.127 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.49 -116.45 4.92 Favored Glycine 0 N--CA 1.463 0.454 0 C-N-CA 120.031 -1.081 . . . . 0.0 110.698 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -93.8 -26.01 17.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -99.22 165.94 11.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.105 0.479 . . . . 0.0 111.334 -174.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -141.36 143.23 33.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.268 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -118.46 174.18 6.4 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 123.629 0.581 . . . . 0.0 109.755 -177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.478 ' HD2' ' OE2' ' A' ' 43' ' ' GLU . 47.8 mtm105 -135.66 108.3 7.46 Favored 'General case' 0 C--O 1.22 -0.49 0 O-C-N 123.703 0.627 . . . . 0.0 109.944 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 tt -85.76 119.31 25.94 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 64' ' ' ILE . 40.9 ttm180 -119.12 141.93 48.36 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.474 0.178 . . . . 0.0 110.598 -177.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tt -107.1 129.25 54.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.3 p -80.21 -178.41 6.56 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 m -68.09 78.27 0.23 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.881 0.372 . . . . 0.0 110.453 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 71.2 -22.52 0.19 Allowed 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.016 0.927 . . . . 0.0 113.001 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -64.22 -57.35 9.74 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.532 0.733 . . . . 0.0 112.027 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -163.86 -173.04 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.282 . . . . 0.0 110.362 -171.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.614 HD12 HD21 ' A' ' 55' ' ' LEU . 2.1 pt? -137.03 160.07 40.03 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 56' ' ' ARG . 2.6 pp -146.71 167.82 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 O-C-N 123.167 0.292 . . . . 0.0 110.852 -174.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.4 tp -122.51 112.34 17.92 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -134.27 176.26 8.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.5 pttt . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.979 -0.534 . . . . 0.0 110.386 172.246 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mtp . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 121.432 0.634 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -156.78 151.76 26.09 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.514 HG22 ' H ' ' B' ' 5' ' ' SER . 16.8 m -60.04 132.09 52.86 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.701 0.762 . . . . 0.0 110.472 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.66 -21.68 54.78 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.207 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.746 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 30.4 m -69.43 15.06 0.08 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -61.17 97.52 0.06 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 66.11 14.9 9.87 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.851 0.86 . . . . 0.0 111.008 -176.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.746 ' HB3' ' HA ' ' B' ' 5' ' ' SER . 6.2 tt -100.05 128.92 46.06 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.45 ' N ' HD23 ' B' ' 8' ' ' LEU . . . 76.38 42.11 23.81 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -171.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.46 60.71 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.298 -0.451 . . . . 0.0 111.326 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.73 107.37 2.47 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 -30.52 10.0 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.015 1.81 . . . . 0.0 112.466 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m 51.37 66.27 1.24 Allowed 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -173.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -67.42 150.05 49.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.817 -173.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.47 88.18 0.09 Allowed 'General case' 0 C--O 1.247 0.97 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.17 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.04 91.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 39.0 m -78.75 -25.23 44.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.212 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -78.15 111.99 22.39 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.493 175.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -67.9 133.08 28.16 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 122.416 2.077 . . . . 0.0 111.277 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.26 61.06 4.44 Favored Glycine 0 CA--C 1.497 -1.066 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.999 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.53 89.5 0.11 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -90.75 145.1 25.07 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.633 0.254 . . . . 0.0 110.592 -177.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 23' ' ' ARG . 15.0 ptt180 -140.46 150.41 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.499 178.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.29 126.73 51.64 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.652 0.595 . . . . 0.0 110.443 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -118.88 138.53 49.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -97.9 155.08 17.24 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -173.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.516 HD12 ' HB ' ' B' ' 32' ' ' ILE . 7.5 mm -119.1 126.41 75.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.787 177.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 28' ' ' VAL . 14.5 m -97.04 96.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.497 0.665 . . . . 0.0 109.932 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.57 -78.19 1.51 Allowed Glycine 0 CA--C 1.505 -0.585 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.83 14.34 0.93 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 122.767 0.427 . . . . 0.0 110.634 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -120.74 122.56 40.66 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.516 ' HB ' HD12 ' B' ' 27' ' ' ILE . 12.3 tt -103.69 157.23 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 171.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.514 ' OD2' ' HB3' ' B' ' 35' ' ' ARG . 17.5 t70 -105.49 133.85 49.57 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.201 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 24.1 t -61.56 -24.87 66.94 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 123.12 0.568 . . . . 0.0 111.519 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' OD2' ' B' ' 33' ' ' ASP . 1.4 tmt_? -68.34 -35.15 77.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.622 0.725 . . . . 0.0 110.138 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 30.1 mm-40 -58.17 -49.96 75.17 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.741 178.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.61 -48.37 60.27 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.956 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -98.12 30.01 3.28 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.788 -173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -57.71 -31.5 66.47 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.293 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 4.1 p -129.49 -47.07 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.984 0.421 . . . . 0.0 110.409 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -76.01 173.01 11.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -118.75 -6.71 10.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.723 0.773 . . . . 0.0 109.277 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -149.5 140.98 23.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.576 -1.193 . . . . 0.0 108.638 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 38.9 mm -129.03 147.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 41.3 t -101.66 144.22 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -129.75 106.01 12.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.63 136.42 33.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.961 -0.462 . . . . 0.0 109.984 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -144.38 97.18 3.0 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.759 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.27 -116.58 5.01 Favored Glycine 0 CA--C 1.502 -0.752 0 C-N-CA 120.109 -1.043 . . . . 0.0 111.274 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -92.63 -26.49 17.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.13 166.44 11.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.074 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.414 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 47.3 mtm180 -141.96 144.55 33.78 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.86 173.48 7.02 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.676 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.48 ' NH2' HH21 ' B' ' 56' ' ' ARG . 56.4 mtp180 -134.42 108.68 8.29 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.372 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.596 HD12 ' O ' ' B' ' 64' ' ' ILE . 32.0 tp -86.33 118.38 25.74 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.48 HH21 ' NH2' ' B' ' 54' ' ' ARG . 41.1 ttm180 -118.73 142.34 47.77 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.461 HD21 ' CE1' ' A' ' 48' ' ' HIS . 2.3 tt -107.12 129.21 54.87 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 124.235 0.959 . . . . 0.0 108.691 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 24.2 p -79.59 179.98 7.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.325 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 8.4 t -67.35 78.84 0.16 Allowed 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.282 0.563 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 71.81 -23.81 0.19 Allowed 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.007 176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -63.47 -57.11 11.28 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -171.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -164.12 -174.27 3.49 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 -171.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.467 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.4 pt? -136.73 160.4 38.96 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.596 ' O ' HD12 ' B' ' 55' ' ' LEU . 2.7 pp -147.24 166.02 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 122.896 0.478 . . . . 0.0 110.816 -173.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 44.1 tp -121.36 112.02 18.05 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.8 t -133.74 174.31 10.59 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.411 0.624 . . . . 0.0 111.508 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' B' ' 67' ' ' LYS . 25.0 mmmt . . . . . 0 C--O 1.251 1.143 0 CA-C-N 114.018 -1.446 . . . . 0.0 109.687 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptt? . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 120.438 0.161 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.0 OUTLIER -83.41 81.17 8.83 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -178.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -80.78 104.59 11.4 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.683 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.49 109.98 21.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.877 0.37 . . . . 0.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB2' ' NH1' ' A' ' 7' ' ' ARG . 8.6 p -81.27 99.65 8.73 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.221 0.534 . . . . 0.0 109.86 177.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.67 124.79 31.88 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.342 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.527 ' NH1' ' HB2' ' A' ' 5' ' ' SER . 2.9 mpt_? -91.26 99.4 12.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.73 164.09 14.55 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.894 178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.75 109.16 0.3 Allowed Glycine 0 CA--C 1.508 -0.403 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.923 -178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.89 147.49 35.05 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -130.79 85.6 54.99 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.789 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -79.53 111.7 2.85 Favored 'Trans proline' 0 C--O 1.237 0.47 0 C-N-CA 123.114 2.543 . . . . 0.0 112.16 -176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.9 m -80.29 89.72 5.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.353 0.597 . . . . 0.0 109.773 174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -97.92 96.67 8.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.964 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 126.69 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.082 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.22 178.35 6.3 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.673 0.273 . . . . 0.0 110.538 -176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.7 m -136.24 146.18 46.45 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.804 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.3 m -112.08 127.61 26.63 Favored Pre-proline 0 N--CA 1.447 -0.615 0 C-N-CA 122.96 0.504 . . . . 0.0 111.048 -176.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.39 116.16 3.22 Favored 'Trans proline' 0 C--O 1.244 0.8 0 C-N-CA 122.804 2.336 . . . . 0.0 111.636 175.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -178.3 56.9 0.09 OUTLIER Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.93 -98.87 2.59 Favored Glycine 0 C--O 1.243 0.665 0 C-N-CA 121.313 -0.47 . . . . 0.0 112.293 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -89.81 142.76 27.39 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 122.763 0.425 . . . . 0.0 111.358 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.7 ptt-85 -133.52 149.82 51.7 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.92 129.34 54.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.398 . . . . 0.0 110.614 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.9 m -124.32 147.18 28.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 C-N-CA 123.351 0.66 . . . . 0.0 109.669 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.466 ' C ' HD12 ' A' ' 27' ' ' ILE . 33.0 p -104.61 156.63 17.8 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -176.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -124.99 129.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 31' ' ' GLN . 13.5 m -100.24 97.58 5.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-O 121.344 0.592 . . . . 0.0 110.565 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.6 -71.5 2.09 Favored Glycine 0 N--CA 1.445 -0.752 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -157.45 19.1 0.28 Allowed 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 171.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' HB3' HG23 ' A' ' 28' ' ' VAL . 50.0 tt0 -110.37 159.06 17.79 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.3 0.571 . . . . 0.0 110.248 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG13 ' A' ' 27' ' ' ILE . 11.8 tt -161.45 150.27 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.51 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 7.9 t70 -96.04 136.71 36.13 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.448 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 63.6 p -60.76 -26.0 66.9 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.585 0.707 . . . . 0.0 110.955 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -67.12 -32.64 73.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.307 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG2' ' HB3' ' A' ' 33' ' ' ASP . 11.1 mm-40 -62.1 -42.7 99.49 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.151 0.501 . . . . 0.0 110.776 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' HG13 ' A' ' 44' ' ' ILE . 80.7 mt -74.44 -50.81 16.93 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.91 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -90.82 32.97 0.95 Allowed 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.198 0.937 . . . . 0.0 111.031 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -60.39 -50.71 72.51 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.108 0.563 . . . . 0.0 111.716 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 41' ' ' ASP . 17.3 m -105.77 -53.4 6.85 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 123.427 0.454 . . . . 0.0 110.727 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 40' ' ' VAL . 2.4 p30 -89.48 -170.95 3.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 175.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -138.1 19.03 2.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.587 0.708 . . . . 0.0 110.125 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -147.86 135.49 20.85 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.844 176.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.417 HG13 ' HB3' ' A' ' 37' ' ' LEU . 45.7 mm -125.75 144.35 36.13 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 O-C-N 123.762 0.664 . . . . 0.0 109.934 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 54' ' ' ARG . 60.4 t -103.8 107.62 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.3 mt -88.42 102.73 13.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.722 175.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.49 142.46 29.19 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -147.92 99.36 3.07 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.01 -123.99 6.32 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.247 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.79 -20.65 23.25 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 121.375 0.607 . . . . 0.0 110.26 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -98.22 166.57 11.34 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -137.79 136.43 37.24 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -115.52 168.42 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.57 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.542 ' HB2' HG23 ' A' ' 66' ' ' THR . 95.9 mtt180 -137.44 130.31 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.9 tp -107.16 116.93 32.79 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -117.69 138.61 51.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.315 0.384 . . . . 0.0 110.421 -173.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 58' ' ' THR . 57.8 tp -110.62 145.8 37.25 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 58.0 p -83.95 -178.04 6.86 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.6 m -49.1 -41.88 37.23 Favored 'General case' 0 C--O 1.252 1.222 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.376 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -172.91 -16.9 0.01 OUTLIER 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.179 0.191 . . . . 0.0 111.183 176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.671 ' ND2' ' HG2' ' A' ' 62' ' ' LYS . 3.8 p-10 -64.03 -63.51 1.13 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.781 -0.574 . . . . 0.0 112.152 -171.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' ' ND2' ' A' ' 61' ' ' ASN . 64.2 pttt -148.23 -171.38 3.82 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.584 -0.697 . . . . 0.0 110.817 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.8 pt? -138.18 161.77 35.96 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 173.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -144.04 169.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 C-N-CA 122.895 0.478 . . . . 0.0 111.462 -174.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 54' ' ' ARG . 57.7 tp -103.01 150.26 23.74 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.286 0.991 . . . . 0.0 108.347 176.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 54' ' ' ARG . 8.7 t -162.34 171.99 16.36 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 123.159 0.287 . . . . 0.0 110.713 -175.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 118.592 -0.718 . . . . 0.0 109.388 178.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.563 0.22 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -97.29 125.52 41.91 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 173.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.6 m -69.33 82.51 0.37 Allowed 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.563 0.697 . . . . 0.0 110.585 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.52 87.15 4.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.89 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -72.39 84.69 1.1 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.688 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.35 132.51 52.87 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 122.666 0.386 . . . . 0.0 110.817 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 7' ' ' ARG . 5.3 ptp180 -164.62 146.02 8.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.029 -178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.26 143.34 6.15 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.641 0.588 . . . . 0.0 110.563 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.58 115.87 5.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.02 114.19 15.49 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -138.58 132.5 16.46 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' B' ' 14' ' ' GLN . 15.0 Cg_endo -54.84 -53.16 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m 68.02 -16.23 0.19 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.291 176.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' B' ' 12' ' ' PRO . 48.5 mt-30 -72.66 115.19 11.65 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.099 -0.376 . . . . 0.0 111.444 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.82 92.19 2.38 Favored 'General case' 0 C--O 1.241 0.658 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.532 176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.56 96.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.227 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 14.1 m -71.51 -48.15 50.76 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.549 -176.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 23.3 m -155.94 136.25 8.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 120.612 0.244 . . . . 0.0 111.403 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -80.17 5.47 6.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.637 2.225 . . . . 0.0 112.177 175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.84 -172.49 45.5 Favored Glycine 0 C--N 1.314 -0.661 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.547 178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.84 -107.36 0.58 Allowed Glycine 0 CA--C 1.521 0.445 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -93.77 135.82 34.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.568 ' CZ ' HG21 ' B' ' 39' ' ' THR . 8.2 ptm85 -136.0 151.08 49.53 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 -178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.5 129.57 54.94 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 121.244 0.545 . . . . 0.0 110.363 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.94 146.92 29.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.491 ' C ' HD12 ' B' ' 27' ' ' ILE . 32.3 p -104.67 158.03 16.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.872 0.844 . . . . 0.0 112.779 -176.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.491 HD12 ' C ' ' B' ' 26' ' ' SER . 2.0 mp -126.09 129.85 72.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 113.992 -1.458 . . . . 0.0 107.712 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 31' ' ' GLN . 10.1 m -102.23 99.21 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 121.731 0.777 . . . . 0.0 109.872 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.46 -72.8 1.91 Allowed Glycine 0 C--N 1.337 0.59 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.167 -177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -157.11 20.58 0.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 110.252 171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.512 ' HB3' HG23 ' B' ' 28' ' ' VAL . 26.8 tt0 -111.58 158.38 19.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.409 ' HB ' HG13 ' B' ' 27' ' ' ILE . 9.0 tt -161.17 150.28 4.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.564 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 16.3 t0 -95.79 136.63 35.95 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 53.5 p -61.11 -25.45 66.98 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.025 0.44 . . . . 0.0 111.07 -178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -67.34 -33.29 74.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.515 -177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.564 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 17.7 mm-40 -61.45 -43.94 97.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.221 0.534 . . . . 0.0 111.081 178.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.436 ' HB3' HG13 ' B' ' 44' ' ' ILE . 93.8 mt -72.31 -51.25 21.59 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -90.98 31.89 1.05 Allowed 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.133 -174.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 23' ' ' ARG . 7.2 t -59.26 -50.76 72.76 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.141 -176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.52 HG23 HG23 ' B' ' 39' ' ' THR . 90.3 t -106.22 -54.28 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -89.49 -171.2 3.13 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' B' ' 57' ' ' LEU . 35.0 ttp180 -137.75 19.92 2.87 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.737 0.78 . . . . 0.0 110.894 178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -147.91 134.67 20.0 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.841 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.0 mm -124.86 144.05 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.84 107.47 22.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-N 117.947 0.34 . . . . 0.0 110.233 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.86 102.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.056 175.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.38 142.58 29.19 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -148.18 99.13 3.02 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.45 -125.4 6.89 Favored Glycine 0 CA--C 1.493 -1.303 0 C-N-CA 120.123 -1.037 . . . . 0.0 111.621 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -89.64 -19.67 24.61 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.097 0.475 . . . . 0.0 109.815 177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.04 165.44 11.74 Favored 'General case' 0 C--N 1.344 0.343 0 O-C-N 121.919 -0.488 . . . . 0.0 110.558 -175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.423 ' O ' ' NZ ' ' B' ' 67' ' ' LYS . 52.8 mtp180 -136.87 136.51 38.78 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -114.96 168.29 10.04 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.776 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.602 ' HB2' HG23 ' B' ' 66' ' ' THR . 73.6 mtp180 -137.8 129.31 28.08 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.38 -177.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 37.1 tp -107.0 115.93 31.04 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -116.96 139.04 51.13 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.249 0.547 . . . . 0.0 110.644 -172.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.648 ' HB3' ' HG2' ' B' ' 42' ' ' ARG . 43.0 tp -110.29 145.23 37.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 123.225 0.61 . . . . 0.0 109.796 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.412 ' O ' ' HG ' ' B' ' 57' ' ' LEU . 64.6 p -83.98 -177.93 6.82 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.013 175.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 20.6 m -49.68 -41.89 44.2 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.695 0.283 . . . . 0.0 110.714 177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -172.97 -17.14 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 112.126 176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.41 -64.66 0.84 Allowed 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.296 0.372 . . . . 0.0 111.511 -171.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -146.73 -171.05 3.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.59 0.71 . . . . 0.0 111.599 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.485 ' H ' HD23 ' B' ' 63' ' ' LEU . 2.3 pt? -138.79 161.55 36.95 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 173.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 pp -143.24 169.47 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.288 -174.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 54' ' ' ARG . 51.8 tp -102.42 149.86 23.94 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.602 HG23 ' HB2' ' B' ' 54' ' ' ARG . 8.9 t -161.62 169.09 22.28 Favored 'General case' 0 C--N 1.318 -0.793 0 O-C-N 121.805 -0.559 . . . . 0.0 110.895 -176.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.423 ' NZ ' ' O ' ' B' ' 52' ' ' ARG . 25.6 mtpp . . . . . 0 C--O 1.245 0.843 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.273 176.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptt? -113.44 167.3 10.7 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.656 0.598 . . . . 0.0 110.68 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.4 p -84.41 39.24 0.72 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.771 -177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.67 84.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.916 0.865 . . . . 0.0 110.516 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -150.41 83.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.618 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -94.29 158.66 15.48 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.708 -0.62 . . . . 0.0 110.464 -175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -82.28 128.39 34.15 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.925 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 8' ' ' LEU . 2.1 pt? -141.79 153.88 44.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.81 177.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.13 -20.27 0.07 OUTLIER Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.77 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 62.13 91.72 0.06 Allowed 'General case' 0 C--O 1.243 0.754 0 O-C-N 123.926 0.427 . . . . 0.0 112.005 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.17 138.75 92.23 Favored Pre-proline 0 C--O 1.243 0.761 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.727 178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -69.77 119.82 6.71 Favored 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.122 1.881 . . . . 0.0 110.708 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -69.71 121.96 18.22 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.33 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -88.88 99.51 12.45 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-O 121.386 0.612 . . . . 0.0 110.976 -176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.99 141.47 28.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.453 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.77 69.45 7.32 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 121.243 0.544 . . . . 0.0 110.505 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.8 m -83.9 89.89 7.29 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.43 177.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.3 m -95.16 109.68 46.07 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.471 -177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.73 120.23 7.32 Favored 'Trans proline' 0 C--O 1.246 0.877 0 C-N-CA 122.499 2.132 . . . . 0.0 111.999 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -120.44 76.55 0.32 Allowed Glycine 0 CA--C 1.506 -0.479 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.42 159.85 19.31 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 121.426 -0.416 . . . . 0.0 113.113 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -80.06 102.54 9.37 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.819 0.342 . . . . 0.0 110.624 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.59 134.18 34.82 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -101.43 120.99 41.13 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.368 0.604 . . . . 0.0 110.316 -176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG22 HD13 ' B' ' 27' ' ' ILE . 31.9 m -117.85 141.0 38.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 m -100.46 156.43 17.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.156 0.979 . . . . 0.0 111.395 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HB ' ' HG2' ' B' ' 23' ' ' ARG . 16.2 mm -128.84 128.06 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 114.175 -1.375 . . . . 0.0 108.378 179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.11 96.36 4.56 Favored 'Isoleucine or valine' 0 C--O 1.243 0.731 0 CA-C-O 121.198 0.523 . . . . 0.0 109.766 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.72 -79.43 1.56 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -174.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -152.08 20.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.991 0.516 . . . . 0.0 110.198 173.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.656 ' NE2' ' H ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -107.48 151.14 25.97 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -174.343 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.656 ' H ' ' NE2' ' A' ' 31' ' ' GLN . 7.7 tt -160.8 156.6 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 32' ' ' ILE . 11.5 t70 -107.75 148.29 29.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.888 0.375 . . . . 0.0 110.299 177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.8 p -62.81 -24.0 67.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.521 0.677 . . . . 0.0 111.768 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -67.06 -38.94 86.68 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.302 -176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.69 -43.64 93.98 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.27 -178.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' HB3' HG13 ' A' ' 44' ' ' ILE . 97.1 mt -75.41 -50.86 14.55 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.259 -178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -95.65 32.25 1.87 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.659 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.555 HG23 HG23 ' A' ' 40' ' ' VAL . 5.5 t -62.72 -37.31 86.05 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.555 HG23 HG23 ' A' ' 39' ' ' THR . 61.2 t -120.15 -52.1 3.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -82.98 -174.78 5.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.73 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -133.26 5.06 3.77 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -147.5 136.54 22.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.729 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG13 ' HB3' ' A' ' 37' ' ' LEU . 42.7 mm -121.38 139.99 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.277 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -98.69 137.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 122.731 0.412 . . . . 0.0 110.056 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 51.0 mt -129.89 105.39 11.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 122.65 0.38 . . . . 0.0 110.627 -175.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.49 135.38 34.68 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -142.64 91.79 2.35 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.0 -119.74 4.95 Favored Glycine 0 C--O 1.244 0.727 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.59 -17.02 18.04 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -96.43 161.62 13.84 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.235 -178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -140.18 142.24 35.92 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.266 0.555 . . . . 0.0 110.32 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 46.1 m-85 -120.84 175.71 5.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.887 -1.051 . . . . 0.0 109.741 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -141.09 114.68 8.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.641 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.0 tp -82.08 108.55 15.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -112.28 138.82 48.45 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.003 -170.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 62' ' ' LYS . 40.9 tp -109.04 139.72 43.54 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -80.07 -178.27 6.44 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.654 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.6 m -49.45 -30.92 8.84 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 122.209 -0.307 . . . . 0.0 110.802 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 176.87 -25.43 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.899 0.856 . . . . 0.0 111.176 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -48.54 -65.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.505 -173.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 57' ' ' LEU . 65.1 pttt -155.54 -169.91 3.27 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.586 0.708 . . . . 0.0 110.53 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.3 pt? -134.36 160.48 37.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -149.62 171.47 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.391 -174.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 53' ' ' TYR . 36.6 tp -114.45 135.0 54.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -158.95 177.85 10.7 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 61.9 pttt . . . . . 0 C--O 1.256 1.399 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.594 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.484 1.227 0 CA-C-O 120.849 0.357 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 27.5 ttt -156.85 124.71 5.49 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 120.874 0.369 . . . . 0.0 110.554 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.57 HG22 ' H ' ' B' ' 5' ' ' SER . 53.7 m -149.92 140.71 22.72 Favored 'General case' 0 C--O 1.221 -0.422 0 C-N-CA 123.589 0.756 . . . . 0.0 109.725 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.98 -4.42 16.7 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.57 ' H ' HG22 ' B' ' 3' ' ' THR . 31.0 m -92.22 0.6 57.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.848 0.356 . . . . 0.0 110.7 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.65 -40.04 93.48 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-O 121.205 0.526 . . . . 0.0 110.523 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -152.25 102.78 2.8 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.973 176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 47.4 tp -168.39 113.1 0.62 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.286 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.69 76.44 0.82 Allowed Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.335 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.07 95.45 2.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -67.9 132.08 92.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.606 -177.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -90.5 17.34 1.49 Allowed 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 123.034 2.489 . . . . 0.0 113.069 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.6 m -47.04 135.94 9.08 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.407 -175.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -159.26 122.54 3.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.07 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.55 76.86 1.56 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.8 114.83 7.48 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.164 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 75.7 p -73.61 116.96 14.8 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.379 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 3.6 p -114.96 91.27 25.96 Favored Pre-proline 0 N--CA 1.45 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.536 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.45 166.38 30.01 Favored 'Trans proline' 0 C--O 1.247 0.947 0 C-N-CA 123.269 2.646 . . . . 0.0 111.786 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.93 -85.63 0.25 Allowed Glycine 0 C--O 1.252 1.25 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.9 157.09 5.61 Favored Glycine 0 N--CA 1.461 0.353 0 C-N-CA 121.226 -0.512 . . . . 0.0 112.541 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.03 127.67 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 122.686 -0.302 . . . . 0.0 110.789 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 27' ' ' ILE . 8.2 ptp180 -123.9 134.11 53.61 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.15 120.27 39.62 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 111.543 -176.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.19 141.41 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 C-N-CA 122.894 0.477 . . . . 0.0 110.097 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.448 ' C ' HD12 ' B' ' 27' ' ' ILE . 59.4 m -100.04 154.72 18.18 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.425 0.631 . . . . 0.0 112.14 -176.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 1.8 mp -127.87 127.18 67.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.407 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 16.2 m -101.25 96.14 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -80.72 1.51 Allowed Glycine 0 N--CA 1.437 -1.238 0 N-CA-C 110.208 -1.157 . . . . 0.0 110.208 -175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -151.51 19.65 0.73 Allowed 'General case' 0 C--O 1.237 0.446 0 O-C-N 122.253 -0.557 . . . . 0.0 109.73 174.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 63.2 tt0 -106.75 152.26 24.06 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.153 -175.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 tt -161.6 156.28 2.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -108.06 148.97 29.04 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 40.3 p -63.77 -24.4 67.75 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.3 -177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.52 -38.82 88.01 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.542 -177.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -59.16 -43.26 92.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.571 0.7 . . . . 0.0 111.373 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.425 ' HB3' HG13 ' B' ' 44' ' ' ILE . 92.0 mt -76.65 -51.32 11.76 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.661 -178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -94.5 32.4 1.58 Allowed 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.035 0.445 . . . . 0.0 111.564 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.7 t -63.18 -37.66 88.11 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.314 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.477 HG23 ' N ' ' B' ' 41' ' ' ASP . 27.6 m -119.26 -51.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 121.143 0.497 . . . . 0.0 111.384 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.477 ' N ' HG23 ' B' ' 40' ' ' VAL . 3.3 t70 -84.05 -175.45 5.81 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -133.15 6.37 3.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 122.082 0.944 . . . . 0.0 110.341 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -147.42 135.54 21.43 Favored 'General case' 0 N--CA 1.437 -1.076 0 C-N-CA 123.423 0.689 . . . . 0.0 110.125 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.425 HG13 ' HB3' ' B' ' 37' ' ' LEU . 46.7 mm -121.85 141.74 41.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 32.0 t -101.41 138.58 25.15 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.457 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 38.3 mt -132.64 105.73 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.81 136.37 33.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.316 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -143.45 92.15 2.33 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.15 -120.71 5.24 Favored Glycine 0 N--CA 1.433 -1.519 0 C-N-CA 119.894 -1.146 . . . . 0.0 111.208 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -99.14 -16.66 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.371 -0.488 . . . . 0.0 110.665 175.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -95.59 161.79 13.9 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 122.675 0.39 . . . . 0.0 110.308 -178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -140.45 142.02 35.41 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 123.49 0.494 . . . . 0.0 110.596 -178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' B' ' 67' ' ' LYS . 32.5 m-85 -121.13 175.45 6.09 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -141.48 113.94 8.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.208 0.528 . . . . 0.0 110.49 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.434 HD11 HD12 ' B' ' 63' ' ' LEU . 57.6 tp -80.44 107.87 13.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 172.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -112.02 138.54 48.51 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.119 0.485 . . . . 0.0 110.324 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 54.7 tp -108.11 138.83 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.935 0.494 . . . . 0.0 110.093 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 77.4 p -79.55 -179.11 6.66 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.1 p -47.42 -31.49 4.16 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.771 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 175.47 -24.8 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.11 0.564 . . . . 0.0 110.081 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -48.72 -65.94 0.48 Allowed 'General case' 0 N--CA 1.481 1.125 0 O-C-N 123.933 0.77 . . . . 0.0 111.728 -174.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.51 -168.53 2.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.436 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.441 HD23 ' N ' ' B' ' 63' ' ' LEU . 1.7 pt? -136.47 160.1 39.78 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.32 171.38 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.655 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 53.7 tp -114.36 125.18 53.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.5 t -144.3 178.85 7.62 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.319 -0.238 . . . . 0.0 110.517 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' B' ' 53' ' ' TYR . 54.5 mtpt . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.582 -0.723 . . . . 0.0 109.127 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 81.9 mtp -118.09 123.71 46.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.832 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m -150.36 144.95 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.892 0.377 . . . . 0.0 110.031 -177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.09 116.13 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -84.62 106.61 16.31 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.661 0.267 . . . . 0.0 110.59 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.19 132.77 48.47 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -85.0 81.21 9.0 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.558 0.694 . . . . 0.0 110.41 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.81 106.82 3.72 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.06 157.96 53.32 Favored Glycine 0 C--O 1.241 0.561 0 CA-C-O 121.444 0.469 . . . . 0.0 113.019 -176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.73 92.64 2.24 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 122.335 -0.509 . . . . 0.0 109.967 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -96.2 129.14 34.49 Favored Pre-proline 0 C--O 1.235 0.342 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.13 117.31 4.38 Favored 'Trans proline' 0 C--O 1.24 0.6 0 C-N-CA 122.135 1.89 . . . . 0.0 112.758 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -93.99 128.79 40.53 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -165.11 134.52 3.54 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.047 177.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.38 152.78 33.26 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.03 121.66 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.613 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -66.44 93.19 0.22 Allowed 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.687 0.617 . . . . 0.0 109.547 179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 m -68.11 117.53 49.94 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.586 ' HA ' HG21 ' A' ' 40' ' ' VAL . 56.8 Cg_endo -68.47 141.86 52.25 Favored 'Trans proline' 0 C--O 1.244 0.803 0 C-N-CA 122.941 2.427 . . . . 0.0 112.011 -177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.76 120.96 8.38 Favored Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.99 -73.26 0.46 Allowed Glycine 0 CA--C 1.507 -0.436 0 N-CA-C 112.251 -0.339 . . . . 0.0 112.251 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' B' ' 27' ' ' ILE . . . -113.03 119.6 38.45 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' HG2' ' HB ' ' B' ' 27' ' ' ILE . 6.4 ptp180 -133.17 152.74 51.94 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.044 -171.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.8 118.71 37.35 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 123.18 0.3 . . . . 0.0 111.31 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.97 141.44 33.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.373 0.606 . . . . 0.0 109.367 176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.5 p -97.59 150.84 20.69 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 122.451 1.119 . . . . 0.0 111.361 -173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 1.7 mp -119.84 126.46 75.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.048 175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 110.18 27.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.639 0.257 . . . . 0.0 110.536 -176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.1 51.58 57.54 Favored Glycine 0 C--N 1.34 0.795 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.267 -177.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' HB2' HD13 ' B' ' 44' ' ' ILE . 1.6 p-10 49.03 23.62 0.76 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 114.453 -0.873 . . . . 0.0 112.503 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -112.31 159.3 18.79 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.5 158.07 2.47 Favored 'Isoleucine or valine' 0 C--O 1.25 1.082 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -106.17 137.41 44.15 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.291 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.1 t -59.87 -24.15 64.0 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.398 0.679 . . . . 0.0 111.465 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -67.77 -35.5 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.652 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -64.23 -42.79 96.4 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.52 0.513 . . . . 0.0 111.257 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' ILE . 98.4 mt -74.75 -34.46 62.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.129 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 98.9 m-85 -114.52 31.34 6.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.356 0.598 . . . . 0.0 111.127 -175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' VAL . 3.4 t -53.69 -39.92 65.55 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.586 HG21 ' HA ' ' A' ' 19' ' ' PRO . 3.7 m -147.84 57.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 176.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 38' ' ' PHE . 10.7 m-20 -159.03 144.94 16.52 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -164.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -119.27 11.53 12.3 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -175.28 132.98 0.3 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.371 -170.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.438 HD13 ' HB2' ' B' ' 30' ' ' ASN . 40.7 mm -125.49 138.24 55.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 123.675 0.609 . . . . 0.0 109.721 176.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.94 138.77 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 53' ' ' TYR . 78.6 mt -128.03 105.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.643 -174.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.0 134.99 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.058 -0.401 . . . . 0.0 111.084 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -145.07 95.23 2.65 Favored 'General case' 0 C--O 1.245 0.817 0 O-C-N 122.392 -0.192 . . . . 0.0 110.951 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.48 -94.3 1.98 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -133.94 -14.32 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.832 0.825 . . . . 0.0 109.365 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -92.21 161.66 14.63 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.018 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -137.31 137.89 39.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.106 0.479 . . . . 0.0 110.292 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HD2' HD11 ' A' ' 65' ' ' LEU . 20.6 m-85 -111.94 164.74 12.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.639 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 54' ' ' ARG . 63.6 mtt180 -131.42 108.63 9.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.781 0.676 . . . . 0.0 110.192 178.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 64' ' ' ILE . 42.1 tp -84.46 106.88 16.38 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -114.7 140.67 48.67 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 120.675 0.274 . . . . 0.0 110.819 -170.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 58' ' ' THR . 3.0 tt -113.46 142.9 45.36 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD23 ' A' ' 57' ' ' LEU . 74.6 p -75.38 -177.48 3.58 Favored 'General case' 0 C--N 1.316 -0.848 0 O-C-N 124.06 0.85 . . . . 0.0 110.195 177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.1 m -58.05 -36.52 72.9 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 123.904 0.752 . . . . 0.0 110.666 177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.411 ' H ' ' H ' ' A' ' 61' ' ' ASN . 28.8 pt20 -171.9 -8.5 0.01 OUTLIER 'General case' 0 C--O 1.249 1.071 0 O-C-N 122.28 -0.262 . . . . 0.0 111.699 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' H ' ' H ' ' A' ' 60' ' ' GLN . 48.0 t30 -66.5 -67.17 0.47 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.022 0.129 . . . . 0.0 111.201 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -163.98 1.09 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.446 0.467 . . . . 0.0 110.654 -177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 2.6 pt? -135.27 162.61 32.07 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 pp -149.65 171.63 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.767 0 O-C-N 123.373 0.421 . . . . 0.0 111.209 -175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.1 tm? -122.93 113.34 18.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -133.18 179.05 6.43 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.669 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 C--O 1.254 1.335 0 C-N-CA 123.125 0.57 . . . . 0.0 109.724 174.544 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 68.2 mtt . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.14 134.64 45.05 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 174.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -140.88 95.49 2.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.402 0.62 . . . . 0.0 110.492 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.76 75.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.894 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -85.92 -4.64 59.22 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.616 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -83.53 132.14 34.95 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.99 174.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -128.54 123.91 34.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.432 0.634 . . . . 0.0 110.692 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -95.31 109.52 21.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.538 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 152.05 116.3 0.68 Allowed Glycine 0 C--O 1.226 -0.358 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.405 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.19 -62.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.36 111.14 47.11 Favored Pre-proline 0 N--CA 1.476 0.827 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.561 174.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -94.72 11.81 1.61 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.971 2.447 . . . . 0.0 112.321 -178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 58.4 m 57.83 82.01 0.14 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.585 0.707 . . . . 0.0 109.686 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -110.02 132.32 54.27 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 123.474 0.71 . . . . 0.0 111.814 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.2 32.54 20.44 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.952 0.783 . . . . 0.0 111.282 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.47 0.54 5.07 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.111 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.7 p -54.61 -43.43 72.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.803 0.811 . . . . 0.0 110.014 173.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 28.3 m -146.21 83.01 8.73 Favored Pre-proline 0 C--N 1.306 -1.309 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.641 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.7 -37.98 91.46 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.525 2.817 . . . . 0.0 111.96 -179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.11 105.04 1.92 Allowed Glycine 0 CA--C 1.507 -0.443 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.374 175.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.74 -19.22 60.44 Favored Glycine 0 C--O 1.238 0.39 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 -178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 27' ' ' ILE . . . -101.63 134.58 44.54 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 123.733 0.313 . . . . 0.0 110.901 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -132.67 152.62 51.64 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.173 0.589 . . . . 0.0 109.996 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.55 118.06 35.86 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 121.817 -0.552 . . . . 0.0 111.968 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.419 HG22 HD13 ' A' ' 27' ' ' ILE . 32.3 m -115.01 141.07 33.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -95.68 151.29 19.48 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 122.106 0.955 . . . . 0.0 112.395 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 31.7 mm -121.94 126.31 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.86 110.89 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 122.137 -0.352 . . . . 0.0 110.688 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.81 51.55 57.42 Favored Glycine 0 C--O 1.235 0.194 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . 0.438 ' HB2' HD13 ' A' ' 44' ' ' ILE . 2.4 p-10 49.59 25.02 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.778 1.231 . . . . 0.0 112.197 -176.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -113.34 158.95 19.93 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.081 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.414 HG12 ' N ' ' B' ' 33' ' ' ASP . 11.2 tt -160.25 157.29 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' B' ' 36' ' ' GLU . 9.2 t0 -105.51 137.24 43.66 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -60.82 -23.49 65.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.839 0.712 . . . . 0.0 111.587 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -67.04 -35.47 79.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.179 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 33' ' ' ASP . 10.5 mm-40 -63.95 -43.2 96.56 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 122.534 0.334 . . . . 0.0 110.809 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.4 ' O ' HD11 ' B' ' 44' ' ' ILE . 95.6 mt -76.24 -32.51 58.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.97 -176.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . 0.673 ' HA ' ' HB2' ' B' ' 41' ' ' ASP . 97.3 m-85 -114.96 29.59 7.93 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.917 -0.489 . . . . 0.0 110.852 -174.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.505 HG23 HG22 ' B' ' 40' ' ' VAL . 6.9 t -52.23 -41.5 62.82 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.505 HG22 HG23 ' B' ' 39' ' ' THR . 26.1 m -146.89 57.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.673 ' HB2' ' HA ' ' B' ' 38' ' ' PHE . 5.9 m-20 -159.3 144.01 15.49 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -163.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -117.7 0.46 12.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.534 0.683 . . . . 0.0 109.249 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -162.38 140.31 8.58 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.741 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.427 HD13 ' HB2' ' A' ' 30' ' ' ASN . 48.4 mm -125.22 138.35 54.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.85 139.66 20.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.451 ' HB ' ' HB2' ' B' ' 53' ' ' TYR . 65.7 mt -129.9 105.02 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -173.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.35 135.3 33.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.153 -0.342 . . . . 0.0 110.167 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -145.43 96.29 2.8 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 121.928 -0.482 . . . . 0.0 109.918 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.41 -92.17 1.77 Allowed Glycine 0 C--O 1.245 0.791 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -134.21 -15.76 2.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 0.0 109.611 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -91.48 160.84 15.23 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.686 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 64.5 mtm-85 -136.67 138.27 40.9 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.623 0.725 . . . . 0.0 110.951 -176.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.471 ' C ' ' HD3' ' B' ' 54' ' ' ARG . 32.2 m-85 -111.99 164.21 13.38 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.499 -178.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' C ' ' B' ' 53' ' ' TYR . 0.4 OUTLIER -130.85 109.9 10.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.488 0.493 . . . . 0.0 110.056 178.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 38.9 tp -85.85 104.96 16.0 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -113.8 139.72 48.9 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 122.446 0.298 . . . . 0.0 111.626 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' B' ' 63' ' ' LEU . 2.7 tt -112.83 143.29 44.34 Favored 'General case' 0 C--O 1.248 1.018 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.543 ' N ' HD23 ' B' ' 57' ' ' LEU . 81.8 p -73.13 -178.38 2.85 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 176.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 36.6 t -58.17 -35.39 71.5 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 122.291 -0.255 . . . . 0.0 111.356 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' B' ' 61' ' ' ASN . 34.3 tt0 -173.33 -7.88 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 O-C-N 123.105 0.253 . . . . 0.0 111.106 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.405 ' H ' ' H ' ' B' ' 60' ' ' GLN . 23.3 t-20 -67.03 -67.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.916 0.388 . . . . 0.0 111.079 -174.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.425 ' H ' ' HG1' ' B' ' 58' ' ' THR . 63.6 pttt -161.32 -163.66 1.04 Allowed 'General case' 0 CA--C 1.556 1.192 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.561 ' HB3' ' HG ' ' B' ' 57' ' ' LEU . 2.2 pt? -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.6 pp -151.06 170.03 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.449 0 C-N-CA 122.937 0.495 . . . . 0.0 111.351 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' B' ' 53' ' ' TYR . 64.1 tp -122.48 114.95 21.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.4 t -131.26 167.8 18.6 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.397 0.617 . . . . 0.0 110.167 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.413 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.499 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' SD ' ' N ' ' A' ' 1' ' ' MET . 3.5 mpp? . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -170.67 -177.29 2.29 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.152 0.581 . . . . 0.0 110.983 -176.546 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.8 m -118.87 92.24 3.76 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.79 14.47 7.1 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.902 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -66.15 81.34 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 120.947 0.404 . . . . 0.0 110.642 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.05 137.42 32.36 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -162.71 108.68 1.19 Allowed 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.66 0.384 . . . . 0.0 111.329 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 pp -93.48 144.05 25.72 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.24 70.67 0.28 Allowed Glycine 0 CA--C 1.505 -0.557 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.867 -174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.38 -173.39 3.05 Favored 'General case' 0 C--O 1.245 0.846 0 CA-C-O 121.016 0.436 . . . . 0.0 110.005 177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.05 134.84 10.16 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -95.91 25.3 0.3 Allowed 'Trans proline' 0 CA--C 1.514 -0.497 0 C-N-CA 122.476 2.118 . . . . 0.0 112.165 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.1 m -60.9 97.66 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.804 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -120.59 87.5 2.76 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.43 123.17 38.83 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.384 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.22 116.14 30.54 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.9 m -56.08 95.44 0.02 OUTLIER 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.494 0.664 . . . . 0.0 110.71 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -71.35 113.47 19.69 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.386 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.64 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 20.0 Cg_exo -68.25 -24.76 37.4 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 122.744 2.296 . . . . 0.0 111.811 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.88 -61.11 4.82 Favored Glycine 0 C--O 1.239 0.447 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 151.88 -118.51 0.9 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 117.274 0.537 . . . . 0.0 112.419 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.13 147.38 25.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 122.55 0.34 . . . . 0.0 110.388 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.77 161.59 40.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.784 -0.573 . . . . 0.0 110.582 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.28 118.29 35.5 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.162 0.914 . . . . 0.0 110.037 -178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.3 m -110.0 143.6 19.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.402 0.681 . . . . 0.0 110.054 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' ILE . 53.6 p -102.78 157.69 16.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 122.181 0.991 . . . . 0.0 112.023 -173.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 26' ' ' SER . 2.0 mp -121.99 123.27 68.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 28' ' ' VAL . 19.3 m -99.98 99.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-O 120.834 0.35 . . . . 0.0 110.073 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.23 -70.87 2.32 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -161.95 19.01 0.1 Allowed 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 170.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.483 ' HG2' ' HB ' ' B' ' 45' ' ' VAL . 0.0 OUTLIER -106.19 153.72 21.72 Favored 'General case' 0 C--O 1.241 0.638 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 -175.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.3 tt -160.09 148.0 6.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.88 147.33 27.45 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.047 0.451 . . . . 0.0 109.828 -176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' B' ' 48' ' ' HIS . 36.7 m -61.74 -24.59 66.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.525 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -63.9 -41.19 97.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.218 0.532 . . . . 0.0 110.417 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.39 -50.57 71.21 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.261 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -76.04 -52.58 9.9 Favored 'General case' 0 C--O 1.247 0.929 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.116 -175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' ' HG ' ' A' ' 55' ' ' LEU . 84.8 m-85 -90.91 27.81 1.72 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.658 -174.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -56.56 -28.97 61.42 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.092 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.64 ' HB ' ' HA ' ' A' ' 19' ' ' PRO . 8.7 m -135.86 -44.59 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.463 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -92.17 111.55 23.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.542 -177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -60.04 -7.44 1.8 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.189 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -142.13 135.93 29.54 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.078 0.551 . . . . 0.0 110.46 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -125.33 143.01 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.154 0.909 . . . . 0.0 108.914 -177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -102.78 141.37 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.727 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.551 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 61.2 mt -131.41 112.78 21.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -174.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB2' ' NH1' ' A' ' 52' ' ' ARG . . . -87.22 136.68 32.84 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 120.887 0.375 . . . . 0.0 110.123 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.467 ' HB2' ' OG ' ' B' ' 34' ' ' SER . 36.1 t60 -147.68 99.53 3.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.353 174.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.64 30.06 37.38 Favored Glycine 0 N--CA 1.443 -0.879 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 70.81 4.49 5.05 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 125.342 1.26 . . . . 0.0 112.139 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -90.22 162.29 15.3 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 172.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' NH1' ' HB2' ' A' ' 47' ' ' ALA . 27.5 mmt180 -120.23 114.65 22.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.384 0.611 . . . . 0.0 110.942 -171.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.448 ' HA ' ' HB3' ' A' ' 67' ' ' LYS . 37.8 m-85 -104.42 162.13 13.49 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.68 176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -134.03 110.09 9.41 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.718 0.77 . . . . 0.0 110.431 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' HG ' ' HZ ' ' A' ' 38' ' ' PHE . 41.5 tp -88.46 111.74 22.16 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 56' ' ' ARG . 37.4 ttp180 -118.74 140.27 50.21 Favored 'General case' 0 C--N 1.31 -1.117 0 O-C-N 123.497 0.498 . . . . 0.0 111.03 -171.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD11 ' CE1' ' B' ' 48' ' ' HIS . 47.6 tp -105.03 142.04 35.52 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 121.202 0.525 . . . . 0.0 110.133 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 p -84.32 -179.23 7.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.5 m -57.85 -62.22 1.96 Allowed 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.859 0.724 . . . . 0.0 110.67 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -132.64 -25.48 1.89 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -176.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.629 ' OD1' ' HG2' ' A' ' 62' ' ' LYS . 5.6 p30 -72.74 -71.32 0.3 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -165.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' HG2' ' OD1' ' A' ' 61' ' ' ASN . 20.7 pttm -151.24 -165.34 2.23 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.293 0.568 . . . . 0.0 111.499 -172.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' HD21 ' B' ' 65' ' ' LEU . 1.7 pt? -134.55 162.58 31.88 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.025 0.53 . . . . 0.0 109.699 174.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.5 pt -145.7 168.35 7.84 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 C-N-CA 122.684 0.394 . . . . 0.0 110.768 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' HG ' ' B' ' 63' ' ' LEU . 54.4 tp -126.72 113.14 16.27 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 178.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.4 t -140.92 173.53 11.39 Favored 'General case' 0 C--N 1.316 -0.876 0 C-N-CA 123.164 0.586 . . . . 0.0 110.028 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 53' ' ' TYR . 47.3 pttt . . . . . 0 C--N 1.316 -0.85 0 O-C-N 121.179 -0.951 . . . . 0.0 111.183 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.8 ttp . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.529 0.204 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -85.44 13.16 7.08 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.4 m -143.53 109.3 5.19 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 111.279 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.31 93.14 7.66 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.9 p -105.67 140.08 39.28 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 121.684 0.754 . . . . 0.0 112.601 -173.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.52 149.32 46.67 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -144.72 35.08 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 O-C-N 123.147 0.28 . . . . 0.0 110.832 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.39 123.22 44.73 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.68 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.234 -0.759 . . . . 0.0 111.266 -179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . 74.68 -43.01 0.51 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.893 0.877 . . . . 0.0 112.678 176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 58.1 82.76 0.23 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-O 121.028 0.442 . . . . 0.0 111.353 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -91.91 4.19 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.618 2.879 . . . . 0.0 112.045 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -79.4 132.68 36.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.821 -0.172 . . . . 0.0 111.218 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -162.31 166.51 25.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 122.902 0.481 . . . . 0.0 109.905 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.99 -79.42 0.53 Allowed 'General case' 0 C--N 1.32 -0.699 0 O-C-N 124.374 1.046 . . . . 0.0 110.23 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.5 -51.05 0.7 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 30.7 t -52.37 113.1 0.94 Allowed 'General case' 0 N--CA 1.474 0.763 0 O-C-N 123.51 0.506 . . . . 0.0 110.717 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.6 p -150.9 119.31 3.49 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.302 -179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.49 105.95 0.81 Allowed 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 123.342 2.695 . . . . 0.0 111.639 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.5 18.8 10.83 Favored Glycine 0 C--O 1.226 -0.368 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 -176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.67 84.36 0.28 Allowed Glycine 0 N--CA 1.438 -1.182 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.772 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -104.04 136.39 43.77 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.15 161.84 36.98 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.581 0.705 . . . . 0.0 110.532 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -111.38 118.1 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.984 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 32.6 m -109.88 143.81 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.6 p -102.22 157.43 16.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.772 0.796 . . . . 0.0 112.062 -173.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mp -122.0 123.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.975 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.411 ' O ' HG23 ' B' ' 28' ' ' VAL . 26.9 m -100.78 99.77 9.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.595 0.712 . . . . 0.0 110.269 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.51 -71.42 2.31 Favored Glycine 0 C--N 1.323 -0.176 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -161.02 18.64 0.12 Allowed 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.255 0.55 . . . . 0.0 110.068 170.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.34 152.64 23.89 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.363 -174.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 17.3 tt -160.14 147.81 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.15 148.23 26.53 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.467 ' OG ' ' HB2' ' A' ' 48' ' ' HIS . 48.1 m -62.04 -24.26 66.97 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 122.656 0.382 . . . . 0.0 111.695 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -64.2 -40.34 95.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.58 -51.43 68.67 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 121.486 0.66 . . . . 0.0 111.362 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt -74.88 -53.6 8.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.744 -176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -90.34 27.49 1.66 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.514 -174.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.549 HG23 HG23 ' B' ' 40' ' ' VAL . 13.0 t -56.59 -27.6 58.39 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.787 0.679 . . . . 0.0 111.53 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.549 HG23 HG23 ' B' ' 39' ' ' THR . 97.0 t -136.77 -44.45 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.706 0 CA-C-O 121.208 0.527 . . . . 0.0 110.311 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -92.15 111.41 22.96 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.97 -0.456 . . . . 0.0 111.049 -176.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -59.0 -8.59 1.47 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.975 0.797 . . . . 0.0 111.392 172.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -141.6 134.58 28.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.0 mm -124.37 142.49 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.088 0.555 . . . . 0.0 109.555 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HG2' ' A' ' 31' ' ' GLN . 40.6 t -101.6 141.5 17.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 C-N-CA 123.457 0.703 . . . . 0.0 110.029 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 52.4 mt -133.0 112.23 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' NH1' ' B' ' 52' ' ' ARG . . . -85.89 135.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.718 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . 0.409 ' HB2' ' OG ' ' A' ' 34' ' ' SER . 54.6 t60 -145.24 99.29 3.29 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.808 172.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.91 28.69 33.86 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t70 71.32 5.8 5.56 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.589 0.817 . . . . 0.0 111.251 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -90.74 162.32 14.94 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 172.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.405 ' NH1' ' HB2' ' B' ' 47' ' ' ALA . 36.3 mmt180 -120.12 114.36 21.85 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 110.934 -171.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.497 ' HB3' HD11 ' B' ' 65' ' ' LEU . 7.6 m-85 -104.72 162.12 13.57 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.763 177.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -133.86 110.67 9.9 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-O 121.845 0.831 . . . . 0.0 109.601 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 31.7 tp -89.29 112.87 24.05 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -120.18 141.65 49.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.188 0.518 . . . . 0.0 109.885 -171.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -105.5 142.4 35.31 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.546 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 82.8 p -84.24 -179.25 7.16 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.601 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 19.4 m -56.79 -64.02 1.01 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.908 0.385 . . . . 0.0 110.708 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.62 -25.99 2.07 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -71.77 -72.78 0.21 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.725 -165.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -149.88 -166.43 2.55 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' HD21 ' A' ' 65' ' ' LEU . 1.7 pt? -134.05 161.58 34.46 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.317 0.647 . . . . 0.0 109.587 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -145.46 168.16 8.53 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 C-N-CA 122.259 0.224 . . . . 0.0 110.72 -175.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' ' 53' ' ' TYR . 66.4 tp -126.01 113.91 17.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -139.54 168.32 20.09 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' B' ' 53' ' ' TYR . 2.7 mppt? . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.664 -0.684 . . . . 0.0 109.703 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.0 mtp -67.53 94.58 0.42 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 172.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.0 p -79.85 -7.9 58.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -172.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -134.15 141.49 47.12 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.113 -0.367 . . . . 0.0 110.99 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 t -129.82 123.08 30.06 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 124.033 0.833 . . . . 0.0 109.718 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -85.22 161.21 19.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' HD3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -128.29 150.69 49.95 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 110.202 -0.295 . . . . 0.0 110.202 -176.337 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -85.32 165.16 17.51 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.204 0.602 . . . . 0.0 110.457 -177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.63 158.57 15.11 Favored Glycine 0 C--N 1.317 -0.503 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.11 178.69 6.7 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.3 p-10 -141.34 125.64 10.36 Favored Pre-proline 0 C--N 1.321 -0.669 0 O-C-N 123.402 0.439 . . . . 0.0 110.392 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 11' ' ' ASP . 19.6 Cg_exo -68.0 123.66 10.91 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.457 2.104 . . . . 0.0 111.645 178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -90.5 153.68 20.19 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -152.65 144.45 23.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.774 0.671 . . . . 0.0 109.303 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.32 107.04 6.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.16 -178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.8 142.99 28.89 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.205 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.1 m -137.05 93.52 2.84 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.714 0.634 . . . . 0.0 109.5 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.492 ' O ' HG11 ' A' ' 40' ' ' VAL . 22.4 p -90.71 112.77 55.11 Favored Pre-proline 0 C--O 1.241 0.607 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.183 -178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 52.1 Cg_exo -53.42 -27.1 38.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.56 2.173 . . . . 0.0 112.276 178.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' B' ' 29' ' ' GLY . . . 113.19 161.81 14.85 Favored Glycine 0 C--O 1.228 -0.257 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.677 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.73 -89.44 0.28 Allowed Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.626 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.81 118.09 33.28 Favored 'General case' 0 C--O 1.245 0.82 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.53 ' NH1' HG21 ' A' ' 39' ' ' THR . 8.9 ptm85 -122.4 141.46 51.57 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 120.879 0.371 . . . . 0.0 110.172 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.5 124.48 49.62 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.039 0.447 . . . . 0.0 110.482 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.75 140.86 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.101 0.477 . . . . 0.0 109.869 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.2 m -99.25 154.77 17.9 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.487 0.661 . . . . 0.0 111.995 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.557 ' HB ' ' HG3' ' B' ' 23' ' ' ARG . 24.8 mm -121.71 129.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.631 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 31' ' ' GLN . 15.4 m -99.84 94.95 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.462 0.649 . . . . 0.0 109.777 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.04 -75.22 1.55 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -154.03 18.44 0.5 Allowed 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 121.571 0.7 . . . . 0.0 110.248 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.511 ' HB3' HG23 ' A' ' 28' ' ' VAL . 24.0 tt0 -116.55 159.59 21.89 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.132 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG12 ' N ' ' A' ' 33' ' ' ASP . 9.7 tt -163.13 155.33 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 36' ' ' GLU . 19.3 m-20 -96.96 139.65 32.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.267 0.556 . . . . 0.0 110.199 178.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 t -62.62 -25.76 68.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.447 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -68.65 -37.05 79.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.749 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' HB2' ' A' ' 33' ' ' ASP . 33.1 mm-40 -61.7 -37.86 85.71 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.692 0.282 . . . . 0.0 111.091 -179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -78.18 -53.28 7.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.298 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 57' ' ' LEU . 91.1 m-85 -95.4 32.56 1.74 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.599 HG23 HG23 ' A' ' 40' ' ' VAL . 5.2 t -56.9 -39.78 75.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.097 -177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.599 HG23 HG23 ' A' ' 39' ' ' THR . 46.2 t -117.68 -49.82 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.14 0.495 . . . . 0.0 111.476 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -93.38 -176.07 4.01 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -132.09 17.83 4.56 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.975 0.893 . . . . 0.0 110.454 -176.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -148.65 139.49 22.92 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.403 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.5 mm -127.94 142.46 43.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.402 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.19 109.19 27.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.226 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.0 mt -90.39 107.17 18.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.706 174.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.68 138.33 33.36 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.34 99.07 3.09 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 122.751 0.42 . . . . 0.0 110.96 -177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.95 -117.3 4.67 Favored Glycine 0 CA--C 1.502 -0.737 0 C-N-CA 120.153 -1.022 . . . . 0.0 111.419 177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -95.25 -25.32 16.4 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.323 0.583 . . . . 0.0 110.073 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -93.26 163.52 13.58 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.362 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -135.28 125.35 25.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB3' HD11 ' A' ' 65' ' ' LEU . 92.8 m-85 -107.15 132.62 52.83 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.162 0.914 . . . . 0.0 111.356 -171.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.636 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 77.5 mtp180 -101.91 114.66 28.95 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.8 tp -99.96 116.0 30.99 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -119.13 138.89 52.6 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.467 0.175 . . . . 0.0 111.022 -173.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -107.21 144.84 33.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 -178.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -82.43 -179.81 7.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 173.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 t -84.01 -16.68 43.06 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.885 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -149.33 -41.48 0.14 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -173.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -88.72 -72.94 0.52 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 -162.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 57' ' ' LEU . 63.2 pttt -145.67 -165.35 2.17 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 122.128 -0.358 . . . . 0.0 111.865 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 63' ' ' LEU . 2.4 pt? -138.3 162.08 35.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 174.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.48 169.88 10.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 -174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 53' ' ' TYR . 46.3 tp -105.14 147.22 28.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.729 0.643 . . . . 0.0 109.729 176.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.585 HG23 ' HB2' ' A' ' 54' ' ' ARG . 9.1 t -165.53 177.73 7.21 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 -176.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.636 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 49.7 pttt . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.395 171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtm . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . 0.492 ' N ' ' SD ' ' B' ' 2' ' ' MET . 0.0 OUTLIER -160.66 152.17 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.516 177.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 31.3 m -82.13 109.32 16.33 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.922 0.764 . . . . 0.0 110.655 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.56 152.97 41.32 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.279 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -155.32 -167.3 2.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.583 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 128.62 36.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.16 0.287 . . . . 0.0 110.752 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -70.32 126.42 29.61 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.527 0.331 . . . . 0.0 111.57 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.64 -177.39 4.78 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.086 177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.02 45.5 3.07 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.96 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 8.19 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.335 0.588 . . . . 0.0 111.349 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.08 110.5 13.57 Favored Pre-proline 0 C--O 1.241 0.64 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -89.85 -0.63 5.71 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.262 2.641 . . . . 0.0 112.332 -177.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 55.9 m 56.6 90.4 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 O-C-N 123.576 0.548 . . . . 0.0 111.098 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -80.31 42.63 0.59 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.587 0.355 . . . . 0.0 110.593 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -53.48 48.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.02 0.438 . . . . 0.0 111.66 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.5 82.32 1.09 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.26 0.552 . . . . 0.0 110.649 -176.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.7 p -94.61 -30.14 14.5 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.613 0.721 . . . . 0.0 110.073 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.6 m -82.42 124.58 77.87 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.82 174.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.77 -5.71 12.36 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 121.766 1.644 . . . . 0.0 112.237 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.15 -57.31 0.48 Allowed Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.54 -17.47 10.55 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.528 172.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.17 121.76 40.48 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.589 0.694 . . . . 0.0 109.612 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' ' 27' ' ' ILE . 8.7 ptt180 -127.72 141.74 51.51 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 123.439 0.462 . . . . 0.0 110.051 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.86 124.61 49.84 Favored 'General case' 0 N--CA 1.441 -0.886 0 O-C-N 123.047 0.217 . . . . 0.0 110.998 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.87 139.42 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 42.2 m -98.4 155.19 17.35 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.877 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mp -121.73 130.6 74.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' B' ' 31' ' ' GLN . 12.0 m -100.26 95.77 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 O-C-N 123.945 0.778 . . . . 0.0 109.911 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 20' ' ' GLY . . . 76.04 -75.73 1.5 Allowed Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.64 17.54 0.53 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.173 -0.514 . . . . 0.0 109.989 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.528 ' HB3' HG23 ' B' ' 28' ' ' VAL . 0.0 OUTLIER -116.1 159.08 22.21 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -176.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 tt -162.75 155.9 2.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.354 1.034 . . . . 0.0 108.728 -176.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.485 ' HB3' ' HG3' ' B' ' 36' ' ' GLU . 6.8 t70 -98.81 139.58 34.27 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.5 t -62.29 -23.43 66.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.475 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -71.25 -36.62 71.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.933 -177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.485 ' HG3' ' HB3' ' B' ' 33' ' ' ASP . 36.0 mt-10 -62.21 -37.02 83.76 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.798 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.7 -52.22 8.23 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.026 178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -94.58 31.84 1.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.812 -172.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -57.48 -38.83 75.19 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.803 0.689 . . . . 0.0 112.353 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.414 HG13 ' N ' ' B' ' 41' ' ' ASP . 7.7 p -119.97 -48.17 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.861 -176.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.414 ' N ' HG13 ' B' ' 40' ' ' VAL . 0.2 OUTLIER -93.27 -176.52 4.16 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 176.344 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -132.52 17.62 4.37 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -149.86 139.59 21.74 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.8 mm -129.18 142.23 44.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.89 108.5 25.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.056 0.455 . . . . 0.0 109.786 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 57.0 mt -90.01 107.07 17.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.709 174.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.92 139.05 32.84 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -147.82 98.73 3.0 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.12 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.06 -115.91 4.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.14 -25.55 16.37 Favored 'General case' 0 C--O 1.248 1.021 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -93.21 162.1 14.15 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.8 -0.563 . . . . 0.0 110.545 -173.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -134.49 125.51 27.52 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.488 ' HB3' HD21 ' B' ' 65' ' ' LEU . 97.9 m-85 -105.69 140.53 38.6 Favored 'General case' 0 C--N 1.312 -1.033 0 O-C-N 124.147 0.904 . . . . 0.0 110.435 -171.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.455 ' HB2' HG23 ' B' ' 66' ' ' THR . 85.1 mtt85 -113.31 113.41 25.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.628 -176.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 43.7 tp -100.21 116.62 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.392 -1.276 . . . . 0.0 108.164 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -120.23 137.97 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.726 0.298 . . . . 0.0 110.395 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 tp -106.2 144.96 32.16 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.326 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . 0.457 HG21 HD21 ' B' ' 61' ' ' ASN . 82.3 p -82.24 -179.57 7.45 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -82.31 -19.4 39.5 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 122.318 -0.239 . . . . 0.0 111.542 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -149.7 -39.21 0.15 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.707 HD22 ' HG2' ' B' ' 62' ' ' LYS . 4.7 p-10 -89.8 -72.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.18 0.808 . . . . 0.0 113.18 -163.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.707 ' HG2' HD22 ' B' ' 61' ' ' ASN . 24.8 pttm -145.16 -165.93 2.29 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-O 121.759 0.79 . . . . 0.0 111.868 -169.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.488 ' H ' HD23 ' B' ' 63' ' ' LEU . 1.9 pt? -137.56 161.95 35.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 173.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.47 170.86 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 111.854 -175.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.63 HD13 ' N ' ' B' ' 66' ' ' THR . 2.9 tm? -106.27 147.02 29.62 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.63 ' N ' HD13 ' B' ' 65' ' ' LEU . 10.0 t -163.68 174.74 11.32 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.971 173.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.5 mtp . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.2 ttt -143.71 109.38 5.18 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 p -65.45 100.56 0.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.93 102.95 4.95 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.137 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -109.69 -47.48 3.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.269 0.556 . . . . 0.0 110.486 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.09 -175.81 2.34 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.86 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -147.53 173.66 12.48 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 121.197 0.522 . . . . 0.0 111.614 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.0 tp -134.21 91.27 2.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.581 173.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.86 43.87 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.73 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.47 52.17 2.3 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.261 0.553 . . . . 0.0 110.061 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.01 124.86 91.17 Favored Pre-proline 0 C--O 1.238 0.454 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.451 -174.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.62 97.39 0.62 Allowed 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 122.229 1.953 . . . . 0.0 110.534 174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 t -67.22 164.93 17.15 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.121 0.486 . . . . 0.0 110.978 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -80.12 94.1 5.93 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 111.075 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 -24.81 27.4 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.89 176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.66 101.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.541 -1.208 . . . . 0.0 108.718 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -79.61 63.66 4.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.655 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m -152.36 78.98 6.23 Favored Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' A' ' 40' ' ' VAL . 62.4 Cg_endo -75.25 -16.51 19.62 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.413 2.075 . . . . 0.0 111.877 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 34.26 87.54 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 116.396 -0.366 . . . . 0.0 112.96 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.15 169.88 53.23 Favored Glycine 0 C--O 1.239 0.419 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.135 174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.91 130.57 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.285 1.042 . . . . 0.0 108.518 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.32 157.45 45.53 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 122.407 -0.183 . . . . 0.0 110.825 -174.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.14 128.14 53.23 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' B' ' 25' ' ' VAL . 31.4 m -118.63 140.38 42.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.212 0.529 . . . . 0.0 110.283 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.2 p -96.11 154.81 17.04 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.053 0.454 . . . . 0.0 111.25 -176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HB ' ' A' ' 32' ' ' ILE . 32.1 mm -121.28 119.76 60.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 C-N-CA 123.985 0.914 . . . . 0.0 108.891 176.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 m -105.25 100.16 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-O 121.906 0.86 . . . . 0.0 109.902 -174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.88 -69.96 2.98 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -165.77 19.07 0.04 OUTLIER 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 169.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -111.91 147.33 36.05 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-O 121.312 0.577 . . . . 0.0 110.885 -173.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 46' ' ' ILE . 13.6 tt -150.63 145.34 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -98.3 149.54 22.5 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 123.66 0.6 . . . . 0.0 110.071 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.8 p -65.86 -22.88 66.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.007 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -62.14 -45.55 92.96 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.606 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.59 -44.32 85.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.279 -176.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.79 -45.04 38.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.443 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -107.05 17.9 22.44 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -170.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 40' ' ' VAL . 4.5 t -57.52 -43.14 84.04 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.022 0.439 . . . . 0.0 110.59 177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' ' 39' ' ' THR . 16.3 m -134.43 64.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 123.548 0.739 . . . . 0.0 109.474 176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 171.18 167.22 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -173.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -140.15 -0.24 1.66 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 118.183 0.447 . . . . 0.0 111.697 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE2' ' HD3' ' A' ' 54' ' ' ARG . 42.6 tt0 -146.97 135.45 21.89 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.041 0.448 . . . . 0.0 110.685 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.8 mm -120.31 136.31 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.974 0.91 . . . . 0.0 109.41 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.07 109.64 26.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 CA-C-N 118.382 0.537 . . . . 0.0 110.432 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 54.8 mt -91.25 106.58 17.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.583 176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.53 141.61 28.49 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.032 0.444 . . . . 0.0 109.957 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -147.42 98.21 2.96 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 119.389 -0.338 . . . . 0.0 110.549 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.1 -106.24 2.86 Favored Glycine 0 CA--C 1.497 -1.082 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.272 178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -114.79 -17.51 11.57 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 123.229 0.612 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.9 157.35 19.54 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.811 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 -133.92 128.19 34.03 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.469 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.644 ' HD2' HD11 ' A' ' 65' ' ' LEU . 4.7 m-85 -108.21 161.23 15.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.815 -175.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HD3' ' OE2' ' A' ' 43' ' ' GLU . 52.6 mtt180 -129.53 110.75 12.1 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.96 0.41 . . . . 0.0 110.29 -178.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 HD12 ' A' ' 63' ' ' LEU . 43.6 tp -86.97 106.69 17.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 172.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 64' ' ' ILE . 30.9 ttm180 -113.74 138.75 49.8 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 -173.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.1 tp -103.94 134.28 47.48 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.4 p -90.79 162.36 14.89 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 175.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 60' ' ' GLN . 7.0 m -58.66 91.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -178.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 59' ' ' SER . 49.7 tt0 73.81 -40.47 0.46 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.533 0.733 . . . . 0.0 112.946 175.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -53.82 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -171.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -153.69 -165.43 2.13 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.386 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 63' ' ' LEU . 1.5 pt? -142.35 163.94 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 175.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' HA ' HD23 ' B' ' 65' ' ' LEU . 2.5 pp -147.08 170.65 3.83 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 O-C-N 123.564 0.54 . . . . 0.0 111.489 -175.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 53' ' ' TYR . 3.4 tm? -123.16 114.03 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.1 t -139.16 155.05 48.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.101 0.477 . . . . 0.0 110.207 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 pttt . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.918 -1.039 . . . . 0.0 110.369 179.026 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 22.7 mmt 58.32 -172.54 0.1 Allowed 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 171.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -69.0 124.35 23.52 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.234 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.43 -57.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -73.5 -34.64 65.39 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.999 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.68 97.84 0.48 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.95 176.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -168.35 155.24 7.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -77.56 78.43 4.07 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.475 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.73 -39.7 97.79 Favored Glycine 0 C--N 1.319 -0.371 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.88 106.62 2.87 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.113 -1.043 . . . . 0.0 109.177 173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.881 ' HB3' ' HB2' ' B' ' 14' ' ' GLN . 10.3 t70 -56.48 133.96 76.96 Favored Pre-proline 0 C--O 1.238 0.448 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.24 -34.67 40.76 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.703 2.269 . . . . 0.0 114.269 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -113.96 17.04 18.15 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.191 0.519 . . . . 0.0 110.885 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.881 ' HB2' ' HB3' ' B' ' 11' ' ' ASP . 35.7 tt0 -68.16 92.17 0.39 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.368 179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.61 38.28 0.84 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.74 116.55 1.22 Allowed 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.618 -176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -133.31 118.52 18.61 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.516 0.51 . . . . 0.0 109.807 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -135.39 79.62 48.1 Favored Pre-proline 0 C--O 1.241 0.621 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.27 -161.64 0.15 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.765 2.977 . . . . 0.0 111.941 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.42 24.2 24.63 Favored Glycine 0 CA--C 1.51 -0.267 0 C-N-CA 120.711 -0.756 . . . . 0.0 111.493 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.32 -64.91 1.02 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.946 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.89 144.66 29.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.057 0.456 . . . . 0.0 110.289 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ptt-85 -140.46 155.33 46.72 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.312 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.15 127.53 51.76 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 123.469 0.481 . . . . 0.0 109.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.608 HG23 HG23 ' A' ' 25' ' ' VAL . 20.3 m -117.78 139.45 44.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.943 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -95.05 154.2 17.29 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.144 0.497 . . . . 0.0 111.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 48.6 mm -120.63 120.38 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.438 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 28' ' ' VAL . 27.7 m -104.61 99.78 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.207 0.527 . . . . 0.0 110.175 -175.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.34 -69.06 3.04 Favored Glycine 0 CA--C 1.507 -0.459 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -166.74 20.15 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 169.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -113.99 134.78 54.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.808 0.813 . . . . 0.0 111.358 -174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 16.3 tt -134.54 153.45 35.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.131 170.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.581 ' OD1' ' HG2' ' B' ' 35' ' ' ARG . 8.3 t0 -98.87 149.97 22.37 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.343 0.592 . . . . 0.0 110.068 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 46.7 p -65.47 -23.08 66.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.165 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' OD1' ' B' ' 33' ' ' ASP . 17.5 mmt180 -63.74 -44.35 93.77 Favored 'General case' 0 C--O 1.221 -0.435 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.82 -43.94 90.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.107 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.05 -45.98 37.88 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.573 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -106.64 18.74 21.48 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.08 -170.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' B' ' 35' ' ' ARG . 9.3 t -57.68 -44.12 85.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.403 0.621 . . . . 0.0 110.444 177.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 40.0 t -134.76 65.1 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 122.232 1.015 . . . . 0.0 108.878 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 172.53 167.44 0.12 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.008 -174.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -140.05 0.4 1.74 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 118.448 0.567 . . . . 0.0 111.434 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -146.71 135.42 22.18 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.066 -0.396 . . . . 0.0 111.36 175.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -120.87 136.86 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.99 178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 55.2 t -102.31 108.07 23.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.356 0.598 . . . . 0.0 110.176 -179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 59.6 mt -88.95 106.03 16.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.379 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.56 140.95 29.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -147.36 99.47 3.14 Favored 'General case' 0 C--O 1.219 -0.513 0 O-C-N 123.443 0.464 . . . . 0.0 110.424 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.53 -106.07 2.79 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 119.913 -1.136 . . . . 0.0 110.541 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -115.94 -17.11 11.04 Favored 'General case' 0 C--O 1.244 0.795 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 175.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -86.09 155.56 20.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 123.069 0.548 . . . . 0.0 110.043 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -132.58 127.85 35.92 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' TYR . . . . . 0.596 ' HA ' ' HB3' ' B' ' 67' ' ' LYS . 17.7 m-85 -107.44 161.43 14.83 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -129.47 110.75 12.13 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.216 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.493 HD11 HD12 ' B' ' 63' ' ' LEU . 44.8 tp -86.85 106.5 17.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 172.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.468 ' HB3' HD11 ' B' ' 64' ' ' ILE . 43.5 ttm180 -113.7 137.54 51.48 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.26 -172.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.425 HD12 ' O ' ' B' ' 62' ' ' LYS . 52.8 tp -102.57 133.63 47.25 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' THR . . . . . . . . . . . . . 69.9 p -89.89 163.44 14.99 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 123.884 0.74 . . . . 0.0 109.019 175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 10.3 m -59.03 92.54 0.02 OUTLIER 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.261 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 73.7 -40.58 0.47 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.445 0.698 . . . . 0.0 112.643 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -55.58 -75.62 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -169.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' LEU . 0.0 OUTLIER -152.74 -165.29 2.15 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.238 -175.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.493 HD12 HD11 ' B' ' 55' ' ' LEU . 1.5 pt? -141.08 164.76 29.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.468 HD11 ' HB3' ' B' ' 56' ' ' ARG . 2.5 pp -146.85 169.69 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 122.787 0.435 . . . . 0.0 111.485 -174.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' B' ' 53' ' ' TYR . 49.9 tp -122.94 114.44 20.44 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.269 0.981 . . . . 0.0 108.862 176.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 9.1 t -139.56 156.79 46.68 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.596 ' HB3' ' HA ' ' B' ' 53' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.21 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.065 178.36 . . . . . . . . 2 2 . 1 stop_ save_