data_1j56_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 1j56 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.83 175.43 9.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.081 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.47 38.04 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.458 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.46 100.17 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.566 HG22 ' HB3' ' A' ' 48' ' ' PRO . 2.6 mp -121.69 101.23 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 122.233 -0.569 . . . . 0.0 110.85 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 30' ' ' CYS . 3.7 p -106.11 127.91 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.485 ' CD1' HG23 ' A' ' 31' ' ' THR . 37.6 m0 -115.57 128.03 55.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.435 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 19' ' ' LEU . 1.6 t -121.2 158.29 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -148.99 102.88 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.07 0.462 . . . . 0.0 111.159 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' HB2' ' HE2' ' A' ' 81' ' ' MET . 63.4 t0 -178.29 109.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.586 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 13.1 t70 68.47 -53.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.11 0.257 . . . . 0.0 111.488 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 26.1 t70 90.37 -98.34 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.575 1.15 . . . . 0.0 111.371 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -35.2 -50.64 0.54 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -61.93 1.72 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.95 -41.01 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.071 0.462 . . . . 0.0 111.646 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 13.5 ttt180 -58.4 -65.68 0.61 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.237 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -40.75 -48.18 2.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.479 ' C ' HD11 ' A' ' 108' ' ' ILE . 1.8 t -65.54 -48.06 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.584 ' CD2' HG23 ' A' ' 8' ' ' VAL . 2.3 tp -72.2 -48.07 45.8 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.584 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 9.8 pt-20 -55.37 -39.72 70.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -76.9 -48.76 17.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CB ' HG12 ' A' ' 108' ' ' ILE . . . -66.76 -54.77 19.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -56.67 -41.79 77.89 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -33.74 65.39 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.53 91.86 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.866 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.32 -19.03 63.1 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 45.89 1.31 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.151 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.591 ' HB2' HD12 ' A' ' 23' ' ' LEU . 3.2 mp -144.44 145.84 32.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 111.85 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m -81.37 102.67 10.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.708 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 38.2 t -96.39 133.85 40.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.485 HG23 ' CD1' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -143.1 152.64 42.06 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.751 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 17.4 p -122.53 166.38 14.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.598 ' HB2' HG12 ' A' ' 9' ' ' VAL . 31.1 m-85 -143.89 177.13 8.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.775 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -67.74 0.25 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' N ' HG13 ' A' ' 9' ' ' VAL . 16.2 m-20 -151.74 -35.9 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.485 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . 178.37 -39.98 0.08 OUTLIER Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.579 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -61.33 -48.96 78.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.056 0.428 . . . . 0.0 111.635 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.775 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 1.8 mt-10 -47.94 -45.81 31.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.234 0.54 . . . . 0.0 109.682 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG12 ' HG ' ' A' ' 43' ' ' LEU . 2.6 t -57.65 -43.17 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.895 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 36' ' ' GLY . 37.3 mt -58.62 -25.61 62.86 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.31 -54.7 4.43 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.145 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.23 91.27 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.955 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 73' ' ' HIS . 16.8 mt -56.43 -25.92 52.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.343 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.83 56.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -122.05 24.3 9.58 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER 173.54 130.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.6 m -111.13 118.59 47.57 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.862 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.566 ' HB3' HG22 ' A' ' 5' ' ' ILE . 93.3 Cg_endo -80.45 150.92 19.72 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.979 2.452 . . . . 0.0 112.831 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 77' ' ' PRO . 19.6 m-20 -60.82 -31.51 70.92 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 6' ' ' VAL . 7.7 p -149.26 140.25 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.749 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.544 HD23 HG23 ' A' ' 78' ' ' VAL . 3.8 tp -135.53 144.93 46.56 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.607 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.1 mt -127.69 136.27 51.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.205 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.481 ' HA ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -141.9 146.1 35.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.785 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 23.9 t0 -68.74 -168.14 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.816 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 1.4 tt -157.32 51.58 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.019 0.437 . . . . 0.0 112.161 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -153.39 74.54 1.02 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.433 -0.792 . . . . 0.0 112.606 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.457 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 178.1 -61.56 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.674 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HG2' ' HA2' ' A' ' 62' ' ' GLY . 3.3 Cg_endo -48.79 153.37 3.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.643 2.229 . . . . 0.0 112.508 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.15 -35.79 0.47 Allowed Glycine 0 N--CA 1.469 0.859 0 C-N-CA 121.494 -0.384 . . . . 0.0 113.483 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -105.95 55.52 0.68 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.263 0.225 . . . . 0.0 111.127 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t0 57.71 -74.89 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.044 0.45 . . . . 0.0 111.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.816 ' HA3' ' HA ' ' A' ' 55' ' ' ILE . . . -148.54 -49.83 0.02 OUTLIER Glycine 0 CA--C 1.51 -0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.622 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 HD11 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -43.48 -28.53 0.37 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.349 0.26 . . . . 0.0 111.183 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.22 -38.12 11.58 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.362 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.454 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 80' ' ' ILE . 3.9 mm? -56.74 -41.82 78.21 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.69 66.41 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.16 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -82.44 -45.58 14.59 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.55 HD11 HG11 ' A' ' 78' ' ' VAL . 12.5 mt -51.23 -55.73 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.493 ' HB3' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -62.67 -4.98 2.31 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -88.8 -33.35 17.45 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.728 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 22.3 mtt180 -110.34 -24.58 10.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.745 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 43' ' ' LEU . 1.5 m-70 -114.31 103.46 55.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.008 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 2.7 Cg_endo -45.35 -60.2 0.92 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 113.145 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtt -136.59 83.13 1.98 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.18 0.515 . . . . 0.0 111.253 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.69 HD21 HG22 ' A' ' 78' ' ' VAL . 5.9 tt -108.63 122.56 39.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.848 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HG2' ' O ' ' A' ' 49' ' ' ASP . 12.6 Cg_exo -67.85 91.53 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.744 2.296 . . . . 0.0 113.086 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.69 HG22 HD21 ' A' ' 76' ' ' LEU . 3.3 t -104.59 127.14 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.102 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.54 ' HB ' ' CD2' ' A' ' 52' ' ' LEU . 3.1 mt -111.96 141.35 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.86 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.585 HG13 ' CZ ' ' A' ' 101' ' ' TYR . 11.7 mm -109.5 150.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.363 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.785 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -85.91 -5.6 59.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.605 HG22 ' CE1' ' A' ' 84' ' ' HIS . 3.5 m -166.79 158.43 12.86 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.611 0.72 . . . . 0.0 112.474 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.439 ' N ' ' CG2' ' A' ' 82' ' ' THR . . . -138.15 79.77 1.76 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.479 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.605 ' CE1' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -86.79 -63.16 1.35 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.617 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.73 -178.16 3.85 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER 44.21 45.51 7.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.081 179.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -29.49 56.57 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.47 -35.72 60.86 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 111.051 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 63' ' ' LEU . . . -65.54 -28.71 69.37 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.817 0.342 . . . . 0.0 110.663 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' HD22 ' A' ' 63' ' ' LEU . . . -68.98 -48.48 63.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.2 t -54.83 -41.59 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -25.43 64.75 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.704 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.543 ' O ' ' HG3' ' A' ' 96' ' ' GLN . . . -65.12 -44.78 87.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -62.59 -30.59 71.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.386 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -37.55 87.67 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.732 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 1.6 pt20 -82.58 -34.43 27.71 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.696 0.284 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.79 30.25 0.15 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.55 140.96 29.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.011 0.405 . . . . 0.0 110.441 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.49 ' CE1' ' HA ' ' A' ' 118' ' ' ALA . 15.3 t80 -64.25 -78.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.83 179.97 7.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.137 0.494 . . . . 0.0 112.022 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.585 ' CZ ' HG13 ' A' ' 80' ' ' ILE . 3.3 m-85 -114.26 107.21 15.29 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.714 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -97.92 153.14 38.31 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.291 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.638 ' HD2' ' HG ' ' A' ' 102' ' ' LEU . 63.8 Cg_endo -69.96 165.25 31.84 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.28 1.986 . . . . 0.0 111.499 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.28 -43.16 2.36 Favored Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.612 ' HD2' ' HB2' ' A' ' 103' ' ' PRO . 84.7 Cg_exo -40.62 122.55 1.4 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 121.782 1.654 . . . . 0.0 110.649 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.459 ' CZ ' HD23 ' A' ' 52' ' ' LEU . 2.8 t80 -143.1 -69.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' PHE . 0.5 OUTLIER 28.16 -97.03 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.948 0.78 . . . . 0.0 111.672 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.479 HD11 ' C ' ' A' ' 18' ' ' VAL . 1.1 mp -138.63 -56.61 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -46.56 -56.81 5.45 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.949 0.156 . . . . 0.0 111.275 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.12 -54.15 24.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.964 0.412 . . . . 0.0 111.054 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.57 60.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.5 t -70.78 -48.97 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.899 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 117' ' ' ARG . . . -51.07 -21.84 2.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.54 0.21 . . . . 0.0 111.467 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 21.1 tp -95.71 -49.09 5.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.391 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.4 p -54.56 -41.58 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 -63.32 1.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 113' ' ' ALA . 2.8 ptp180 -53.52 -32.63 51.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.696 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.49 ' HA ' ' CE1' ' A' ' 99' ' ' PHE . . . -56.9 -53.39 58.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.759 0.314 . . . . 0.0 110.155 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -70.61 -38.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.091 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.6 t -58.49 -42.13 86.87 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.69 -9.29 58.42 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.909 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.405 ' HD1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -107.91 -34.62 6.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.707 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -85.2 114.6 22.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.886 -0.509 . . . . 0.0 111.302 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 121.73 0.776 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' BEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.83 175.43 9.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.081 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.47 38.04 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.458 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.46 100.17 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD12 ' OD2' ' A' ' 49' ' ' ASP . 2.6 mp -121.69 101.23 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 122.233 -0.569 . . . . 0.0 110.85 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.861 HG11 ' HG ' ' A' ' 23' ' ' LEU . 3.7 p -106.11 127.91 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.692 ' CD1' HG22 ' A' ' 31' ' ' THR . 37.6 m0 -115.57 128.03 55.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.435 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.882 HG21 HD23 ' A' ' 19' ' ' LEU . 1.6 t -121.2 158.29 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -148.99 102.88 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.07 0.462 . . . . 0.0 111.159 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.629 ' HB2' ' HE2' ' A' ' 81' ' ' MET . 63.4 t0 -178.29 109.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.586 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 13.1 t70 68.47 -53.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.11 0.257 . . . . 0.0 111.488 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 26.1 t70 90.37 -98.34 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.575 1.15 . . . . 0.0 111.371 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -35.2 -50.64 0.54 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.07 -61.93 1.72 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.95 -41.01 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.071 0.462 . . . . 0.0 111.646 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HB2' HG21 ' A' ' 32' ' ' THR . 13.5 ttt180 -58.4 -65.68 0.61 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.237 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -40.75 -48.18 2.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.05 HG12 HD13 ' A' ' 108' ' ' ILE . 1.8 t -65.54 -48.06 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 8' ' ' VAL . 2.3 tp -72.2 -48.07 45.8 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 9.8 pt-20 -55.37 -39.72 70.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -76.9 -48.76 17.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' CB ' HG12 ' A' ' 108' ' ' ILE . . . -66.76 -54.77 19.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.861 ' HG ' HG11 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -56.67 -41.79 77.89 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -33.74 65.39 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.53 91.86 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.866 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.32 -19.03 63.1 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 45.89 1.31 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.151 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HB2' HD12 ' A' ' 23' ' ' LEU . 3.2 mp -144.44 145.84 32.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 111.85 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m -81.37 102.67 10.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.708 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 38.2 t -96.39 133.85 40.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -143.1 152.64 42.06 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.751 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 17.4 p -122.53 166.38 14.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.726 ' HB2' HG13 ' A' ' 9' ' ' VAL . 31.1 m-85 -143.89 177.13 8.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.804 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -67.74 0.25 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 16.2 m-20 -151.74 -35.9 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . 178.37 -39.98 0.08 OUTLIER Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.579 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -48.96 78.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.056 0.428 . . . . 0.0 111.635 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.804 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 1.8 mt-10 -47.94 -45.81 31.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.234 0.54 . . . . 0.0 109.682 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG11 HD11 ' A' ' 51' ' ' LEU . 2.6 t -57.65 -43.17 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.895 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLY . 37.3 mt -58.62 -25.61 62.86 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.31 -54.7 4.43 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.145 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.23 91.27 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.955 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' A' ' 73' ' ' HIS . 16.8 mt -56.43 -25.92 52.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.343 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.83 56.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -122.05 24.3 9.58 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER 173.54 130.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.495 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.6 m -111.13 118.59 47.57 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.862 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.552 ' HD2' HD11 ' A' ' 76' ' ' LEU . 93.3 Cg_endo -80.45 150.92 19.72 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.979 2.452 . . . . 0.0 112.831 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 5' ' ' ILE . 19.6 m-20 -60.82 -31.51 70.92 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 HG23 ' A' ' 115' ' ' VAL . 7.7 p -149.26 140.25 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.749 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HG11 ' A' ' 39' ' ' VAL . 3.8 tp -135.53 144.93 46.56 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.892 HD23 ' HB ' ' A' ' 79' ' ' ILE . 2.1 mt -127.69 136.27 51.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.205 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -141.9 146.1 35.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.824 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 23.9 t0 -68.74 -168.14 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.86 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 1.4 tt -157.32 51.58 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.019 0.437 . . . . 0.0 112.161 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -153.39 74.54 1.02 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.433 -0.792 . . . . 0.0 112.606 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 178.1 -61.56 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.674 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 3.3 Cg_endo -48.79 153.37 3.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.643 2.229 . . . . 0.0 112.508 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.15 -35.79 0.47 Allowed Glycine 0 N--CA 1.469 0.859 0 C-N-CA 121.494 -0.384 . . . . 0.0 113.483 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.76 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -105.95 55.52 0.68 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.263 0.225 . . . . 0.0 111.127 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t0 57.71 -74.89 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.044 0.45 . . . . 0.0 111.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.86 ' HA3' ' HA ' ' A' ' 55' ' ' ILE . . . -148.54 -49.83 0.02 OUTLIER Glycine 0 CA--C 1.51 -0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.622 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CB ' ' HB3' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -43.48 -28.53 0.37 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.349 0.26 . . . . 0.0 111.183 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 60' ' ' MET . . . -47.22 -38.12 11.58 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.362 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' HA3' ' A' ' 36' ' ' GLY . 57.1 mt -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.454 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 80' ' ' ILE . 3.9 mm? -56.74 -41.82 78.21 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.69 66.41 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.16 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 40' ' ' LEU . 7.0 mm-40 -82.44 -45.58 14.59 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.907 HD13 HG21 ' A' ' 78' ' ' VAL . 12.5 mt -51.23 -55.73 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB3' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -62.67 -4.98 2.31 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -88.8 -33.35 17.45 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.728 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -110.34 -24.58 10.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.745 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.715 ' CE1' HD13 ' A' ' 43' ' ' LEU . 1.2 m170 -114.31 103.46 55.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.008 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 2.7 Cg_endo -45.35 -60.2 0.92 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 113.145 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtt -136.59 83.13 1.98 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.18 0.515 . . . . 0.0 111.253 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HD2' ' A' ' 48' ' ' PRO . 5.9 tt -108.63 122.56 39.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.848 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 12.6 Cg_exo -67.85 91.53 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.744 2.296 . . . . 0.0 113.086 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.907 HG21 HD13 ' A' ' 69' ' ' ILE . 3.3 t -104.59 127.14 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.102 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.892 ' HB ' HD23 ' A' ' 52' ' ' LEU . 3.1 mt -111.96 141.35 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.86 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 66' ' ' LEU . 11.7 mm -109.5 150.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.363 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.824 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -85.91 -5.6 59.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 55' ' ' ILE . 3.5 m -166.79 158.43 12.86 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.611 0.72 . . . . 0.0 112.474 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -138.15 79.77 1.76 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.479 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' CE1' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -86.79 -63.16 1.35 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.617 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.569 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -122.73 -178.16 3.85 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER 44.21 45.51 7.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.081 179.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD21 ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -54.94 -29.49 56.57 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.47 -35.72 60.86 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 111.051 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . . . -65.54 -28.71 69.37 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.817 0.342 . . . . 0.0 110.663 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 63' ' ' LEU . . . -68.98 -48.48 63.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 20.2 t -54.83 -41.59 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -25.43 64.75 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.704 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 96' ' ' GLN . . . -65.12 -44.78 87.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 91' ' ' VAL . 8.9 m-85 -62.59 -30.59 71.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.386 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -37.55 87.67 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.732 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 1.6 pt20 -82.58 -34.43 27.71 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.696 0.284 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.79 30.25 0.15 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' CB ' ' HB1' ' A' ' 93' ' ' ALA . . . -86.55 140.96 29.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.011 0.405 . . . . 0.0 110.441 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 118' ' ' ALA . 15.3 t80 -64.25 -78.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.83 179.97 7.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.137 0.494 . . . . 0.0 112.022 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.616 ' CZ ' HG13 ' A' ' 80' ' ' ILE . 3.3 m-85 -114.26 107.21 15.29 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.714 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -97.92 153.14 38.31 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.291 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.638 ' HD2' ' HG ' ' A' ' 102' ' ' LEU . 63.8 Cg_endo -69.96 165.25 31.84 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.28 1.986 . . . . 0.0 111.499 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.28 -43.16 2.36 Favored Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.606 ' HD2' ' HB2' ' A' ' 103' ' ' PRO . 84.7 Cg_exo -40.62 122.55 1.4 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 121.782 1.654 . . . . 0.0 110.649 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.714 ' CZ ' HD22 ' A' ' 52' ' ' LEU . 2.8 t80 -143.1 -69.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER 28.16 -97.03 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.948 0.78 . . . . 0.0 111.672 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.05 HD13 HG12 ' A' ' 18' ' ' VAL . 1.1 mp -138.63 -56.61 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.556 ' N ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -46.56 -56.81 5.45 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.949 0.156 . . . . 0.0 111.275 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 102' ' ' LEU . 4.2 mm-40 -67.12 -54.15 24.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.964 0.412 . . . . 0.0 111.054 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.57 60.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HA ' HG12 ' A' ' 115' ' ' VAL . 97.5 t -70.78 -48.97 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.899 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 117' ' ' ARG . . . -51.07 -21.84 2.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.54 0.21 . . . . 0.0 111.467 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 21.1 tp -95.71 -49.09 5.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.391 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 23' ' ' LEU . 2.4 p -54.56 -41.58 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 -63.32 1.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 113' ' ' ALA . 2.8 ptp180 -53.52 -32.63 51.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.696 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.499 ' HA ' ' CE1' ' A' ' 99' ' ' PHE . . . -56.9 -53.39 58.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.759 0.314 . . . . 0.0 110.155 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -70.61 -38.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.091 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.6 t -58.49 -42.13 86.87 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.69 -9.29 58.42 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.909 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -107.91 -34.62 6.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.707 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -85.2 114.6 22.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.886 -0.509 . . . . 0.0 111.302 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 121.73 0.776 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' BEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.767 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.83 175.43 9.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.081 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.47 38.04 2.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.458 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.46 100.17 0.01 OUTLIER Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.265 0.466 . . . . 0.0 114.265 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 HD12 ' OD2' ' A' ' 49' ' ' ASP . 2.6 mp -121.69 101.23 9.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 O-C-N 122.233 -0.569 . . . . 0.0 110.85 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.861 HG11 ' HG ' ' A' ' 23' ' ' LEU . 3.7 p -106.11 127.91 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.946 0.403 . . . . 0.0 111.548 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.692 ' CD1' HG22 ' A' ' 31' ' ' THR . 37.6 m0 -115.57 128.03 55.67 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.435 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.882 HG21 HD23 ' A' ' 19' ' ' LEU . 1.6 t -121.2 158.29 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -148.99 102.88 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.07 0.462 . . . . 0.0 111.159 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.629 ' HB2' ' HE2' ' A' ' 81' ' ' MET . 63.4 t0 -178.29 109.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.586 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.561 ' O ' ' HB3' ' A' ' 12' ' ' ASP . 13.1 t70 68.47 -53.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.11 0.257 . . . . 0.0 111.488 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 26.1 t70 90.37 -98.34 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 124.575 1.15 . . . . 0.0 111.371 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -35.2 -50.64 0.54 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER -75.07 -61.93 1.72 Allowed 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.696 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.95 -41.01 76.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 CA-C-O 121.071 0.462 . . . . 0.0 111.646 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.506 ' HB2' HG21 ' A' ' 32' ' ' THR . 13.5 ttt180 -58.4 -65.68 0.61 Allowed 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.237 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -40.75 -48.18 2.96 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.05 HG12 HD13 ' A' ' 108' ' ' ILE . 1.8 t -65.54 -48.06 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.937 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.882 HD23 HG21 ' A' ' 8' ' ' VAL . 2.3 tp -72.2 -48.07 45.8 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 9.8 pt-20 -55.37 -39.72 70.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.956 0.408 . . . . 0.0 110.635 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -76.9 -48.76 17.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.898 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' CB ' HG12 ' A' ' 108' ' ' ILE . . . -66.76 -54.77 19.35 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.861 ' HG ' HG11 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -56.67 -41.79 77.89 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 111.944 0.349 . . . . 0.0 111.944 -179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.11 -33.74 65.39 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.16 -37.53 91.86 Favored Glycine 0 C--N 1.338 0.655 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.866 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.32 -19.03 63.1 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.11 45.89 1.31 Allowed Glycine 0 C--N 1.336 0.569 0 C-N-CA 121.208 -0.52 . . . . 0.0 113.151 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.681 ' HB2' HD12 ' A' ' 23' ' ' LEU . 3.2 mp -144.44 145.84 32.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.063 0.458 . . . . 0.0 111.85 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 95.5 m -81.37 102.67 10.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.708 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 20' ' ' GLU . 38.2 t -96.39 133.85 40.27 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.692 HG22 ' CD1' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -143.1 152.64 42.06 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.751 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 17.4 p -122.53 166.38 14.9 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.726 ' HB2' HG13 ' A' ' 9' ' ' VAL . 31.1 m-85 -143.89 177.13 8.75 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.804 ' HG3' ' HB2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -47.92 -67.74 0.25 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 16.2 m-20 -151.74 -35.9 0.13 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . 178.37 -39.98 0.08 OUTLIER Glycine 0 CA--C 1.524 0.605 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.579 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -48.96 78.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 117.056 0.428 . . . . 0.0 111.635 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.804 ' HB2' ' HG3' ' A' ' 34' ' ' GLU . 1.8 mt-10 -47.94 -45.81 31.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.234 0.54 . . . . 0.0 109.682 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG11 HD11 ' A' ' 51' ' ' LEU . 2.6 t -57.65 -43.17 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.895 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 36' ' ' GLY . 37.3 mt -58.62 -25.61 62.86 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.808 178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.31 -54.7 4.43 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.145 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.23 91.27 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.955 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.691 ' CD1' HG12 ' A' ' 39' ' ' VAL . 16.8 mt -56.43 -25.92 52.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.343 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.14 -24.83 56.99 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -122.05 24.3 9.58 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.265 0.469 . . . . 0.0 112.265 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.0 OUTLIER 173.54 130.34 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.6 m -111.13 118.59 47.57 Favored Pre-proline 0 N--CA 1.467 0.417 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.862 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.552 ' HD2' HD11 ' A' ' 76' ' ' LEU . 93.3 Cg_endo -80.45 150.92 19.72 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.979 2.452 . . . . 0.0 112.831 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.494 ' OD2' HD12 ' A' ' 5' ' ' ILE . 19.6 m-20 -60.82 -31.51 70.92 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.419 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 HG23 ' A' ' 115' ' ' VAL . 7.7 p -149.26 140.25 16.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.749 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HG11 ' A' ' 39' ' ' VAL . 3.8 tp -135.53 144.93 46.56 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.892 HD23 ' HB ' ' A' ' 79' ' ' ILE . 2.1 mt -127.69 136.27 51.35 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.205 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -141.9 146.1 35.36 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.824 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 23.9 t0 -68.74 -168.14 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.716 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.86 ' HA ' ' HA3' ' A' ' 62' ' ' GLY . 1.4 tt -157.32 51.58 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.019 0.437 . . . . 0.0 112.161 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -153.39 74.54 1.02 Allowed 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.433 -0.792 . . . . 0.0 112.606 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.455 ' N ' ' HD2' ' A' ' 58' ' ' PRO . 0.0 OUTLIER 178.1 -61.56 0.0 OUTLIER Pre-proline 0 N--CA 1.47 0.549 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 179.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.6 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 3.3 Cg_endo -48.79 153.37 3.72 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.643 2.229 . . . . 0.0 112.508 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -39.15 -35.79 0.47 Allowed Glycine 0 N--CA 1.469 0.859 0 C-N-CA 121.494 -0.384 . . . . 0.0 113.483 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.76 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -105.95 55.52 0.68 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 122.263 0.225 . . . . 0.0 111.127 179.384 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t0 57.71 -74.89 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.044 0.45 . . . . 0.0 111.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.86 ' HA3' ' HA ' ' A' ' 55' ' ' ILE . . . -148.54 -49.83 0.02 OUTLIER Glycine 0 CA--C 1.51 -0.257 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.622 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' CB ' ' HB3' ' A' ' 89' ' ' ALA . 0.5 OUTLIER -43.48 -28.53 0.37 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.349 0.26 . . . . 0.0 111.183 179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.76 ' HB2' ' CB ' ' A' ' 60' ' ' MET . . . -47.22 -38.12 11.58 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.711 0.291 . . . . 0.0 110.362 177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD13 ' HA3' ' A' ' 36' ' ' GLY . 57.1 mt -54.16 -46.33 72.27 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.454 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 80' ' ' ILE . 3.9 mm? -56.74 -41.82 78.21 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -31.69 66.41 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.16 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 40' ' ' LEU . 7.0 mm-40 -82.44 -45.58 14.59 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.54 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.907 HD13 HG21 ' A' ' 78' ' ' VAL . 12.5 mt -51.23 -55.73 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 121.014 0.435 . . . . 0.0 110.602 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HB3' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -62.67 -4.98 2.31 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.453 0.908 . . . . 0.0 113.453 -179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -88.8 -33.35 17.45 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 120.847 0.356 . . . . 0.0 110.728 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 22.3 mtt180 -110.34 -24.58 10.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.745 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.839 ' HD2' HG23 ' A' ' 69' ' ' ILE . 1.5 m-70 -114.31 103.46 55.03 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.008 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.483 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 2.7 Cg_endo -45.35 -60.2 0.92 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.155 2.57 . . . . 0.0 113.145 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 18.9 mtt -136.59 83.13 1.98 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.18 0.515 . . . . 0.0 111.253 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.552 HD11 ' HD2' ' A' ' 48' ' ' PRO . 5.9 tt -108.63 122.56 39.83 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.848 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 76' ' ' LEU . 12.6 Cg_exo -67.85 91.53 0.37 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.744 2.296 . . . . 0.0 113.086 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.907 HG21 HD13 ' A' ' 69' ' ' ILE . 3.3 t -104.59 127.14 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.102 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.892 ' HB ' HD23 ' A' ' 52' ' ' LEU . 3.1 mt -111.96 141.35 27.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.86 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 66' ' ' LEU . 11.7 mm -109.5 150.38 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.621 0.248 . . . . 0.0 111.363 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.824 ' HG2' ' HA ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -85.91 -5.6 59.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 55' ' ' ILE . 3.5 m -166.79 158.43 12.86 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.611 0.72 . . . . 0.0 112.474 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -138.15 79.77 1.76 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.479 179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' CE1' HG21 ' A' ' 82' ' ' THR . 0.0 OUTLIER -86.79 -63.16 1.35 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.617 -179.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.569 ' O ' HD11 ' A' ' 63' ' ' LEU . 1.0 OUTLIER -122.73 -178.16 3.85 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 63' ' ' LEU . 0.9 OUTLIER 44.21 45.51 7.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 113.081 179.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.49 HD21 ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -54.94 -29.49 56.57 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.47 -35.72 60.86 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 111.051 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.609 ' HB3' ' CB ' ' A' ' 63' ' ' LEU . . . -65.54 -28.71 69.37 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.817 0.342 . . . . 0.0 110.663 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 63' ' ' LEU . . . -68.98 -48.48 63.01 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 20.2 t -54.83 -41.59 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.508 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -25.43 64.75 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.704 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.575 ' O ' ' HG3' ' A' ' 96' ' ' GLN . . . -65.12 -44.78 87.61 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 91' ' ' VAL . 8.9 m-85 -62.59 -30.59 71.45 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.386 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -37.55 87.67 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.732 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 1.6 pt20 -82.58 -34.43 27.71 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.696 0.284 . . . . 0.0 111.721 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.79 30.25 0.15 Allowed Glycine 0 CA--C 1.522 0.514 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.594 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' CB ' ' HB1' ' A' ' 93' ' ' ALA . . . -86.55 140.96 29.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 117.011 0.405 . . . . 0.0 110.441 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.499 ' CE1' ' HA ' ' A' ' 118' ' ' ALA . 15.3 t80 -64.25 -78.96 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -161.83 179.97 7.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.137 0.494 . . . . 0.0 112.022 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.616 ' CZ ' HG13 ' A' ' 80' ' ' ILE . 3.3 m-85 -114.26 107.21 15.29 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.714 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HG ' ' HD2' ' A' ' 103' ' ' PRO . 0.3 OUTLIER -97.92 153.14 38.31 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.291 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.638 ' HD2' ' HG ' ' A' ' 102' ' ' LEU . 63.8 Cg_endo -69.96 165.25 31.84 Favored 'Trans proline' 0 C--N 1.358 1.049 0 C-N-CA 122.28 1.986 . . . . 0.0 111.499 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.28 -43.16 2.36 Favored Pre-proline 0 N--CA 1.479 1.019 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.606 ' HD2' ' HB2' ' A' ' 103' ' ' PRO . 84.7 Cg_exo -40.62 122.55 1.4 Allowed 'Trans proline' 0 C--N 1.364 1.394 0 C-N-CA 121.782 1.654 . . . . 0.0 110.649 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.714 ' CZ ' HD22 ' A' ' 52' ' ' LEU . 2.8 t80 -143.1 -69.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.842 ' O ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER 28.16 -97.03 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 O-C-N 123.948 0.78 . . . . 0.0 111.672 -178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.05 HD13 HG12 ' A' ' 18' ' ' VAL . 1.1 mp -138.63 -56.61 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.556 ' N ' HG22 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -46.56 -56.81 5.45 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.949 0.156 . . . . 0.0 111.275 -179.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' OE1' HD11 ' A' ' 102' ' ' LEU . 4.2 mm-40 -67.12 -54.15 24.01 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.964 0.412 . . . . 0.0 111.054 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.57 60.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HA ' HG12 ' A' ' 115' ' ' VAL . 97.5 t -70.78 -48.97 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.899 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 117' ' ' ARG . . . -51.07 -21.84 2.08 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.54 0.21 . . . . 0.0 111.467 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 117' ' ' ARG . 21.1 tp -95.71 -49.09 5.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.391 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 23' ' ' LEU . 2.4 p -54.56 -41.58 55.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 N-CA-C 111.534 0.198 . . . . 0.0 111.534 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 -63.32 1.3 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.912 0.387 . . . . 0.0 111.191 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 113' ' ' ALA . 2.8 ptp180 -53.52 -32.63 51.26 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.696 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.499 ' HA ' ' CE1' ' A' ' 99' ' ' PHE . . . -56.9 -53.39 58.46 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.759 0.314 . . . . 0.0 110.155 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -70.61 -38.62 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.091 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.6 t -58.49 -42.13 86.87 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -74.69 -9.29 58.42 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.909 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' HD1' ' HA ' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -107.91 -34.62 6.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.707 179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -85.2 114.6 22.43 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.886 -0.509 . . . . 0.0 111.302 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 121.73 0.776 . . . . 0.0 110.675 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' BEF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_